TEMSAVIR

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H23N7O4
Molecular Weight	473.4839
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CN=C(N2C=NC(C)=N2)C3=C1C(=CN3)C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChIKey=QRPZBKAMSFHVRW-UHFFFAOYSA-N

InChI=1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C24H23N7O4
Molecular Weight	473.4839
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25401969https://aidsinfo.nih.gov/drugs/508/fostemsavir/0/patient | https://www.hiv.uw.edu/page/treatment/drugs/fostemsavir | https://www.ncbi.nlm.nih.gov/pubmed/27922453
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/22547625 https://www.ncbi.nlm.nih.gov/pubmed/23774428

Fostemsavir (BMS-663068) is an investigational attachment inhibitor with a unique mechanism of action. It is a prodrug of temsavir, which binds to HIV envelope glycoprotein 120 (gp120), thereby preventing viral attachment to the host CD4 cell surface receptor. In the absence of effective binding of HIV gp120 with the host CD4 receptor, HIV does not enter the host cell. Because fostemsavir has a novel mechanism of action, the drug should have full activity against HIV strains that have developed resistance to other classes of antiretroviral medications. In a phase 2b study of treatment-experienced individuals, fostemsavir appeared to be well tolerated. Phase 3 studies are ongoing.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Human immunodeficiency virus 1 34 Target ID: CHEMBL378 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22547625	Inhibitor 8504
Human immunodeficiency virus 1 34 Target ID: CHEMBL378 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22547625	Inhibitor 8504		2.26 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
HIV-1 infection 156 Sources: http://adisinsight.springer.com/drugs/800031504 https://clinicaltrials.gov/ct2/show/NCT02362503	Primary		Phase III 665	Unknown Approved Use Unknown
HIV-1 infection 156 Sources: https://clinicaltrials.gov/ct2/show/NCT02362503	Primary		Phase III 665	Unknown Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
3.18 ug/mL Clinical Trial https://clinicaltrials.gov/ct2/show/NCT01009814	1200 mg 2 times / day multiple, oral dose: 1200 mg route of administration: oral experiment type: multiple co-administered:		TEMSAVIR plasma	Homo sapiens
3.61 ug/mL Clinical Trial https://clinicaltrials.gov/ct2/show/NCT01009814	1200 mg 2 times / day multiple, oral dose: 1200 mg route of administration: oral experiment type: multiple co-administered:		TEMSAVIR plasma	Homo sapiens
3.39 ug/mL Clinical Trial https://clinicaltrials.gov/ct2/show/NCT01009814	1200 mg 2 times / day multiple, oral dose: 1200 mg route of administration: oral experiment type: multiple co-administered:		TEMSAVIR plasma	Homo sapiens
2.55 ug/mL Clinical Trial https://clinicaltrials.gov/ct2/show/NCT01009814	1200 mg single, oral dose: 1200 mg route of administration: oral experiment type: single co-administered:		TEMSAVIR plasma	Homo sapiens
3.39 μg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22896665/	1200 mg 2 times / day multiple, oral dose: 1200 mg route of administration: Oral experiment type: MULTIPLE co-administered:		TEMSAVIR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: MALE food status: FED
1770 ng/mL DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212950s000lbl.pdf	600 mg 2 times / day multiple, oral dose: 600 mg route of administration: Oral experiment type: MULTIPLE co-administered: other antiretroviral drugs	other antiretroviral drugs	TEMSAVIR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN

AUC

Value	Dose	Co-administered	Analyte	Population
19.5 ug*h/mL Clinical Trial https://clinicaltrials.gov/ct2/show/NCT01009814	1200 mg 2 times / day multiple, oral dose: 1200 mg route of administration: oral experiment type: multiple co-administered:		TEMSAVIR plasma	Homo sapiens
22.5 ug*h/mL Clinical Trial https://clinicaltrials.gov/ct2/show/NCT01009814	1200 mg 2 times / day multiple, oral dose: 1200 mg route of administration: oral experiment type: multiple co-administered:		TEMSAVIR plasma	Homo sapiens
42.6 ug*h/mL Clinical Trial https://clinicaltrials.gov/ct2/show/NCT01009814	1200 mg 2 times / day multiple, oral dose: 1200 mg route of administration: oral experiment type: multiple co-administered:		TEMSAVIR plasma	Homo sapiens
13.8 ug*h/mL Clinical Trial https://clinicaltrials.gov/ct2/show/NCT01009814	1200 mg single, oral dose: 1200 mg route of administration: oral experiment type: single co-administered:		TEMSAVIR plasma	Homo sapiens
42.6 μg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/22896665/	1200 mg 2 times / day multiple, oral dose: 1200 mg route of administration: Oral experiment type: MULTIPLE co-administered:		TEMSAVIR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: MALE food status: FED
12900 ng × h/mL DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212950s000lbl.pdf	600 mg 2 times / day multiple, oral dose: 600 mg route of administration: Oral experiment type: MULTIPLE co-administered: other antiretroviral drugs	other antiretroviral drugs	TEMSAVIR plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN

T_1/2

Value	Dose	Co-administered	Analyte	Population
11 h DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212950s000lbl.pdf	600 mg single, oral dose: 600 mg route of administration: Oral experiment type: SINGLE co-administered:		TEMSAVIR plasma	Homo sapiens population: UNKNOWN age: UNKNOWN sex: UNKNOWN food status: UNKNOWN

F_unbound

Value	Dose	Co-administered	Analyte	Population
26.9% DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212950s000lbl.pdf	600 mg single, oral dose: 600 mg route of administration: Oral experiment type: SINGLE co-administered:		TEMSAVIR plasma	Homo sapiens population: UNKNOWN age: UNKNOWN sex: UNKNOWN food status: UNKNOWN

Doses

Dose	Population	Adverse events
600 mg 2 times / day steady, oral Recommended Dose: 600 mg, 2 times / day Route: oral Route: steady Dose: 600 mg, 2 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212950s000lbl.pdf	unhealthy, 17-43 years Health Status: unhealthy Age Group: 17-43 years Sex: M+F Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212950s000lbl.pdf	Disc. AE: Immune reconstitution inflammatory syndrome... Other AEs: Nausea, Diarrhea... AEs leading to discontinuation/dose reduction: Immune reconstitution inflammatory syndrome (grade 3, 3%) Other AEs: Nausea (grade 1-4, 10%) Diarrhea (grade 1-4, 4%) Headache (grade 1-4, 4%) Abdominal pain (grade 1-4, 3%) Dyspepsia (grade 1-4, 3%) Fatigue (grade 1-4, 3%) Rash (grade 1-4, 3%) Sleep disturbance (grade 1-4, 3%) Immune reconstitution inflammatory syndrome (grade 1-4, 2%) Somnolence (grade 1-4, 2%) Vomiting (grade 1-4, 2%) ALT increased (grade 3-4, 5%) AST increased (grade 3-4, 4%) Direct bilirubin increased (grade 3, 7%) Bilirubin increased (grade 3-4, 3%) Creatinine increased (grade 3-4, 19%) Creatine kinase increased (grade 3-4, 2%) Hemoglobin decreased (grade 3-4, 6%) Hyperglycemia (grade 3-4, 4%) Lipase increased (grade 3-4, 5%) Neutrophils reduced (grade 3-4, 4%) Blood triglycerides increased (grade 3-4, 5%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/212950s000lbl.pdf
600 mg 2 times / day steady, oral Recommended Dose: 600 mg, 2 times / day Route: oral Route: steady Dose: 600 mg, 2 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/25870057/	healthy, 18-49 years Health Status: healthy Age Group: 18-49 years Sex: M+F Sources: https://pubmed.ncbi.nlm.nih.gov/25870057/	Other AEs: Scleral icterus, Abdominal pain... Other AEs: Scleral icterus (27.8%) Abdominal pain (11.1%) Headache (13.9%) Dizziness (5.6%) Nausea (8.3%) Musculoskeletal chest pain (2.8%) Sources: https://pubmed.ncbi.nlm.nih.gov/25870057/
600 mg 2 times / day steady, oral Recommended Dose: 600 mg, 2 times / day Route: oral Route: steady Dose: 600 mg, 2 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/25870057/	healthy, 18-49 years Health Status: healthy Age Group: 18-49 years Sex: M+F Sources: https://pubmed.ncbi.nlm.nih.gov/25870057/	Other AEs: Headache... Other AEs: Headache (5.6%) Sources: https://pubmed.ncbi.nlm.nih.gov/25870057/
600 mg 2 times / day steady, oral Recommended Dose: 600 mg, 2 times / day Route: oral Route: steady Dose: 600 mg, 2 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/25870057/	healthy, 18-49 years Health Status: healthy Age Group: 18-49 years Sex: M+F Sources: https://pubmed.ncbi.nlm.nih.gov/25870057/	Other AEs: Scleral icterus, Abdominal pain... Other AEs: Scleral icterus (5.6%) Abdominal pain (5.6%) Nausea (5.6%) Sources: https://pubmed.ncbi.nlm.nih.gov/25870057/
1050 mg 2 times / day steady, oral Studied dose Dose: 1050 mg, 2 times / day Route: oral Route: steady Dose: 1050 mg, 2 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/26423650/	unhealthy, adults Health Status: unhealthy Age Group: adults Sex: M+F Sources: https://pubmed.ncbi.nlm.nih.gov/26423650/	Other AEs: Headache... Other AEs: Headache (grade 1, 14%) Sources: https://pubmed.ncbi.nlm.nih.gov/26423650/
1200 mg 1 times / day steady, oral Studied dose Dose: 1200 mg, 1 times / day Route: oral Route: steady Dose: 1200 mg, 1 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/26423650/	unhealthy, adults Health Status: unhealthy Age Group: adults Sex: M+F Sources: https://pubmed.ncbi.nlm.nih.gov/26423650/	Disc. AE: Disseminated tuberculosis, Back pain... AEs leading to discontinuation/dose reduction: Disseminated tuberculosis (2%) Back pain (2%) Sources: https://pubmed.ncbi.nlm.nih.gov/26423650/
400 mg 2 times / day steady, oral Studied dose Dose: 400 mg, 2 times / day Route: oral Route: steady Dose: 400 mg, 2 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/26423650/	unhealthy, adults Health Status: unhealthy Age Group: adults Sex: M+F Sources: https://pubmed.ncbi.nlm.nih.gov/26423650/	Disc. AE: Ischaemia... AEs leading to discontinuation/dose reduction: Ischaemia (2%) Sources: https://pubmed.ncbi.nlm.nih.gov/26423650/
800 mg 2 times / day steady, oral Studied dose Dose: 800 mg, 2 times / day Route: oral Route: steady Dose: 800 mg, 2 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/26423650/	unhealthy, adults Health Status: unhealthy Age Group: adults Sex: M+F Sources: https://pubmed.ncbi.nlm.nih.gov/26423650/	Disc. AE: Bone tuberculosis, Acute renal failure... AEs leading to discontinuation/dose reduction: Bone tuberculosis (2%) Acute renal failure (2%) Sources: https://pubmed.ncbi.nlm.nih.gov/26423650/
2400 mg 2 times / day steady, oral Highest studied dose Dose: 2400 mg, 2 times / day Route: oral Route: steady Dose: 2400 mg, 2 times / day Sources: https://www.fda.gov/media/140641/download	healthy Health Status: healthy Sources: https://www.fda.gov/media/140641/download	Other AEs: QT interval prolonged... Other AEs: QT interval prolonged Sources: https://www.fda.gov/media/140641/download

AEs

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 2252 inducer 1087	substrate 1193 inhibitor 2438	substrate 1388 inhibitor 2507	inhibitor 2217

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
OATP1B1 1079 OATP1B3 961 CYP 110 UGT 45 BCRP 910 MATE2 267 CYP1A2 2153 CYP2B6 926 CYP2C8 1057 CYP2C19 2057 CYP2A6 879 UGT1A1 246 UGT1A4 98 UGT1A9 148 UGT1A6 136 UGT2B7 197 P-gp 1741 OAT1 725 OAT3 747 MATE1 415 MRP2 499 NTCP 39 OCT2 779 BSEP 550 OCT1 620	CYP3A 220 P-gp 2052 BCRP 697 esterase 74 UGT 219 CYP1A1 389 CYP1A2 1197 CYP2A6 626 CYP1B1 104 CYP2B6 776 CYP2C8 810 CYP2C19 1119 FMO3 77 CYP4A11 137 CYP2E1 729 CYP3A5 446	CYP1A2 832 CYP2B6 669

Drug as perpetrator

Target	Modality	Activity	Metabolite
OAT1 730	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 182.0	no [IC50 110 uM]	temsavir 5
OCT1 656	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 184.0	no [IC50 32.8 uM]	temsavir 5
UGT1A6 171	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 176.0	no [IC50 >10 uM]	temsavir 5
UGT1A9 155	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 176.0	no [IC50 >10 uM]	temsavir 5
UGT2B7 210	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 177.0	no [IC50 >10 uM]
UGT2B7 210	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 177.0	no [IC50 >10 uM]	temsavir 5
OCT2 782	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 184.0	no [IC50 >100 uM]	temsavir 5
UGT1A1 303	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 176.0	no [IC50 >100 uM]
UGT1A1 303	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 176.0	no [IC50 >100 uM]	temsavir 5
UGT1A4 100	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 176.0	no [IC50 >100 uM]
UGT1A4 100	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 176.0	no [IC50 >100 uM]	temsavir 5
UGT1A6 171	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 176.0	no [IC50 >100 uM]
UGT1A9 155	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 176.0	no [IC50 >100 uM]
BCRP 985	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 181.0	no [IC50 >250 uM]
P-gp 1932	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 181.0	no [IC50 >250 uM]
CYP1A2 2333	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 174.0	no [IC50 >40 uM]	temsavir 5
CYP2A6 911	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 175.0	no [IC50 >40 uM]	temsavir 5
CYP2B6 1160	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 174.0	no [IC50 >40 uM]	temsavir 5
CYP2C19 2141	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 175.0	no [IC50 >40 uM]	temsavir 5
CYP2C8 1117	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 174.0	no [IC50 >40 uM]	temsavir 5
CYP2C9 2497	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 174.0	no [IC50 >40 uM]	temsavir 5
CYP2D6 2546	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 175.0	no [IC50 >40 uM]	temsavir 5
CYP3A4 2633	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 175.0	no [IC50 >40 uM]	temsavir 5
BSEP 554	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 184.0	no [IC50 >50 uM]	temsavir 5
MRP2 625	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 183.0	no [IC50 >50 uM]	temsavir 5
NTCP 40	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 183.0	no [IC50 >50 uM]	temsavir 5
OAT3 749	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 182.0	no [IC50 >50 uM]	temsavir 5
P-gp 1932	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 181.0	no [Inhibition 25 uM]	temsavir 5
CYP 150	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 36.0	no	temsavir 5
CYP1A2 2333	inducer 1966 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 177.0	no	temsavir 5
CYP2B6 1160	inducer 1966 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 178.0	no	temsavir 5
CYP3A4 2633	inducer 1966 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 178.0	no	temsavir 5
UGT 70	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 36.0	no	temsavir 5
MATE2 267	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 36, 183	yes [IC50 12.2 uM]	temsavir 5
MATE1 416	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 182.0	yes [IC50 18.5 uM]	temsavir 5
BCRP 985	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 36, 114	yes	temsavir 5
OATP1B1 1095	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 36, 114, 180	yes	temsavir 5
OATP1B3 970	inhibitor 4027 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 36, 114, 181	yes	temsavir 5

Drug as victim

Target	Modality	Activity	Metabolite	Clinical evidence
UGT 219	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 35.0	minor	temsavir 5
CYP1A1 389	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 173.0	no	temsavir 5
CYP1A2 1197	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 173.0	no	temsavir 5
CYP1B1 104	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 173.0	no	temsavir 5
CYP2A6 626	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 173.0	no	temsavir 5
CYP2B6 776	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 173.0	no	temsavir 5
CYP2C19 1119	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 173.0	no	temsavir 5
CYP2C8 810	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 173.0	no	temsavir 5
CYP2C9 1193	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 173.0	no	temsavir 5
CYP2D6 1388	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 173.0	no	temsavir 5
CYP2E1 729	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 173.0	no	temsavir 5
CYP3A5 446	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 173.0	no	temsavir 5
CYP4A11 137	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 173.0	no	temsavir 5
FMO3 77	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 173.0	no	temsavir 5
BCRP 697	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 35, 179	yes	temsavir 5
P-gp 2052	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 35, 179	yes	temsavir 5
esterase 74	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 35.0	yes	temsavir 5
CYP3A 220	substrate 4014 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 35, 111, 112, 113	yes	temsavir 5	yes (co-administration study) Comment: coadministration of fostemsavir with rifampin significantly decreases temsavir plasma concentrations, reduced temsavir AUC by 80%; coadministration of fostemsavir with drugs that are strong CYP3A inducers result in decreased concentrations of temsavir. Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 35, 111, 112, 113

Tox targets

Target	Modality	Activity	Metabolite	Clinical evidence
hERG 2263	inhibitor 2237 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/212950Orig1s000IntegratedR.pdf Page: 69.0		temsavir 5

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY575616	https://www.001chemical.com/chem/864953-29-7
AA Blocks	AA00GTZ5	https://www.aablocks.com/goods/Goods/detail?id=AA00GTZ5
Acadechem	ACDS-0781672	http://acadechemical.com/product/229218
Achemtek	0102-013953	http://www.achemtek.com/864953-29-7
Adooq BioScience	A15025	https://www.adooq.com/bms-663068.html
AK Scientific, Inc. (AKSCI)	3502AH	http://www.aksci.com/item_detail.php?cat=3502AH
Ambinter	Amb22396014	http://www.ambinter.com/reference/22396014
Angene	AGN-PC-0WCXR0	http://www.angenechemical.com/productshow/AGN-PC-0WCXR0.html
Aurora Fine Chemicals LLC	A24.141.513	http://online.aurorafinechemicals.com/info?ID=A24.141.513
Aurum Pharmatech LLC	W-5998	http://www.Aurumpharmatech.com/Product/ProductDetails/W_5998
BioChemPartner	BCP13226	http://www.biochempartner.com/864953-29-7-BCP13226
BioCrick	BCC1428	http://www.biocrick.com/BMS-663068-BCC1428.html
BOC Sciences	864953-29-7	https://www.bocsci.com/bms-663068-cas-864953-29-7-item-84-463659.html
Boerchem	BC600763	http://www.boerchem.com/?product_43597.html
Chem Scene	CS-1059	http://www.chemscene.com/864953-29-7.html
Chemspace	CSSB00137314448	https://chem-space.com/CSSB00137314448
DC Chemicals	DC8163	http://www.dcchemicals.com/product_show-Fostemsavir_BMS_663068_.html
Excenen	EX-A1973	https://www.excenen.com/searchresultlist.php?id=864953-29-7
Hairui	FOXF012	http://www.hairuichem.com/en/product/864953-29-7.html
MedChem Express	HY-15440A	https://www.medchemexpress.com/BMS-663068.html
Molcore	MC575616	https://www.molcore.com/product/864953-29-7
MuseChem	I005194	https://www.musechem.com/product/I005194.html
Selleck Chemicals	S7220	http://www.selleckchem.com/products/bms-663068.html
Smolecule	S528400	http://www.smolecule.com/products/s528400
Synblock Inc	SB11250	http://www.synblock.com/product/864953-29-7.html
THE BioTek	bt-268684	https://www.thebiotek.com/product/inhibitors/bt-268684
THE BioTek	bt-342630	https://www.thebiotek.com/product/others/bt-342630
THE BioTek	bt-464747	https://www.thebiotek.com/product/others/bt-464747
1PlusChem LLC	1P00FCG8	https://www.1pchem.com/search?query=1P00FCG8
AChemBlock	L13964	http://www.achemblock.com/catalogsearch/result/?q=L13964
AK Scientific	3501AH	https://aksci.com/item_detail.php?cat=3501AH
Angene	AGN-PC-0TXRVI	http://www.angenechemical.com/productshow/AGN-PC-0TXRVI.html
ApexBio Technology	A3253	https://www.apexbt.com/catalogsearch/result/?q=A3253
AstaTech	43242	http://astatechinc.com/CPSResult.php?CRNO=43242
Cayman Chemical	18413	http://www.caymanchem.com/app/template/Product.vm/catalog/18413
Chem Scene	CS-0938	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-0938
ChemShuttle	155599	https://www.chemshuttle.com/catalogsearch/result/?q=155599
Debye Scientific	DA-35014	https://www.debyesci.com/index.php?id=product&ext[cno]=DA-35014
eMolecules	44811344	https://orderbb.emolecules.com/search/#?query=44811344
Excenen	EX-A2034	http://www.excenen.com/searchresultlist.php?id=EX-A2034
Hairui	FOXF01210	http://www.hairuichem.com/en/product/search.do?q=FOXF01210
KeyOrganics	AS-35292	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-35292
mcule	MCULE-6503554438	https://mcule.com/MCULE-6503554438/
MedChem Express	HY-15440	https://www.medchemexpress.com/search.html?q=HY-15440&ft=&fa=&fp=
MolPort	MolPort-039-137-511	https://www.molport.com/shop/molecule-link/MolPort-039-137-511
MolPort	MolPort-046-703-070	https://www.molport.com/shop/molecule-link/MolPort-046-703-070
ShangHai Biochempartner	BCP09613	http://www.biochempartner.com/search_BCP09613
Toronto Research Chemicals	D449298	https://www.trc-canada.com/product-detail/?CatNum=D449298
Toronto Research Chemicals	T017900	https://www.trc-canada.com/product-detail/?CatNum=T017900

PubMed

Title	Date	PubMed
In vitro antiviral characteristics of HIV-1 attachment inhibitor BMS-626529, the active component of the prodrug BMS-663068.	2012 Jul	22547625
Safety and efficacy of the HIV-1 attachment inhibitor prodrug BMS-663068 in treatment-experienced individuals: 24 week results of AI438011, a phase 2b, randomised controlled trial.	2015 Oct	26423650
Model-Based Phase 3 Dose Selection for HIV-1 Attachment Inhibitor Prodrug BMS-663068 in HIV-1-Infected Patients: Population Pharmacokinetics/Pharmacodynamics of the Active Moiety, BMS-626529.	2016 May	26902761
Safety and efficacy of the HIV-1 attachment inhibitor prodrug fostemsavir in antiretroviral-experienced subjects: week 48 analysis of AI438011, a Phase IIb, randomized controlled trial.	2017	27922453
[What can new substances offer?].	2017 Jun	28597267
Current Status of the Pharmacokinetics and Pharmacodynamics of HIV-1 Entry Inhibitors and HIV Therapy.	2017 Oct 16	28738768

Patents

Sample Use Guides

In Vivo Use Guide

Phase 1: BMS-663068 (a prodrug of temsavir) 600 mg tablets orally twice daily for 8 days Phase 2: BMS-663068 (a prodrug of temsavir) 600 mg tablets orally twice daily for 48 weeks or longer

Route of Administration: Oral

In Vitro Use Guide

Temsavir (BMS-626529) inhibits HIV-1 gp120 with IC50 values of 2.26 nM, 0.34 nM and 1.3 nM for HIV-1 subtype A, B, and C envelope, respectively.

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:02:21 GMT 2025` Edited by `admin` on `Wed Apr 02 09:02:21 GMT 2025`
Record UNII	4B6J53W8N3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

temsavir [INN]

Preferred Name

English

TEMSAVIR

Official Name

English

1,2-ETHANEDIONE, 1-(4-BENZOYL-1-PIPERAZINYL)-2-(4-METHOXY-7-(3-METHYL-1H-1,2,4-TRIAZOL-1-YL)-1H-PYRROLO(2,3-C)PYRIDIN-3-YL)-

Systematic Name

English

TEMSAVIR [USAN]

Common Name

English

BMS-626529

Code

English

Temsavir [WHO-DD]

Common Name

English

TEMSAVIR [MI]

Common Name

English

PIPERAZINE, 1-BENZOYL-4-((4-METHOXY-7-(3-METHYL-1H-1,2,4-TRIAZOL-1-YL)-1H-PYRROLO(2,3-C)PYRIDIN-3-YL)OXOACETYL)-

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1660