OZANIMOD HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H24N4O3.ClH
Molecular Weight	440.923
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@H](NCCO)C4=CC=C3)C#N

InChI

InChIKey=HAOOCAKHSFYDBU-BDQAORGHSA-N

InChI=1S/C23H24N4O3.ClH/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28;/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3;1H/t20-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C23H24N4O3
Molecular Weight	404.4617
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
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/26990079

Ozanimod (previously known as RPC-1063) is a selective immune-inflammatory modulator of the G protein-coupled receptors sphingosine 1-phosphate 1 and 5, which are part of the sphingosine 1-phosphate (S1P) receptor family. Treatment with S1P receptor modulators interferes with S1P signaling and blocks the response of lymphocytes (a type of white blood cell) to exit signals from the lymph nodes, sequestering them within the nodes. The result is a downward modulation of circulating lymphocytes and anti-inflammatory activity by inhibiting cell migration to sites of inflammation. Ozanimod is currently in phase III clinical trials for the treatment of relapsing multiple sclerosis (RMS) and ulcerative colitis, and also in phase II clinical trials to determine whether it is effective in the treatment of Crohn's disease.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Sphingosine 1-phosphate receptor 1 6 Target ID: P21453 Gene ID: 1901.0 Gene Symbol: S1PR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/26990079	Agonist 2678		0.41 nM [EC50]
Sphingosine 1-phosphate receptor 5 4 Target ID: Q9H228 Gene ID: 53637.0 Gene Symbol: S1PR5 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/26990079	Agonist 2678		11.0 nM [EC50]

Conditions

Condition	Modality	Highest Phase	Product
Ulcerative colitis 123 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27144850	Primary	Phase III 656	Unknown Approved Use Unknown
Multiple sclerosis 104 Sources: https://clinicaltrials.gov/ct2/show/NCT02576717	Primary	Phase III 656	Unknown Approved Use Unknown
Crohn's disease 42 Sources: https://clinicaltrials.gov/ct2/show/NCT02531113	Primary	Phase II 1132	Unknown Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
0.409 ng/mL EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/28398597	1.5 mg 1 times / day steady-state, oral dose: 1.5 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		OZANIMOD plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

AUC

Value	Dose	Co-administered	Analyte	Population
7.66 ng × h/mL EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/28398597	1.5 mg 1 times / day steady-state, oral dose: 1.5 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		OZANIMOD plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

T_1/2

Value	Dose	Co-administered	Analyte	Population
21.4 h EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/28398597	1.5 mg 1 times / day steady-state, oral dose: 1.5 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		OZANIMOD plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

Doses

Dose	Population	Adverse events
0.5 mg 1 times / day multiple, oral Recommended Dose: 0.5 mg, 1 times / day Route: oral Route: multiple Dose: 0.5 mg, 1 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/31492651/ Page: 9	unhealthy, 18 - 55 years n = 467 Health Status: unhealthy Condition: multiple sclerosis Age Group: 18 - 55 years Sex: M+F Population Size: 467 Sources: https://pubmed.ncbi.nlm.nih.gov/31492651/ Page: 9	Other AEs: Nasopharyngitis, Headache... Other AEs: Nasopharyngitis (9.7%) Headache (6%) Upper respiratory tract infection (6.8%) Alanine aminotransferase increased (2.6%) Back pain (2.2%) Gamma-glutamyltransferase increased (2.2%) Respiratory tract infection viral (2.2%) Urinary tract infection (1.8%) Hypercholesterolaemia (1.3%) Hypertension (2.4%) Pharyngitis (1.3%) Rhinitis (1.8%) Upper abdominal pain (2%) Sources: https://pubmed.ncbi.nlm.nih.gov/31492651/ Page: 9
1 mg 1 times / day multiple, oral Recommended Dose: 1 mg, 1 times / day Route: oral Route: multiple Dose: 1 mg, 1 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/31492651/ Page: 9	unhealthy, 18 - 55 years n = 448 Health Status: unhealthy Condition: multiple sclerosis Age Group: 18 - 55 years Sex: M+F Population Size: 448 Sources: https://pubmed.ncbi.nlm.nih.gov/31492651/ Page: 9	Other AEs: Nasopharyngitis, Headache... Other AEs: Nasopharyngitis (6.7%) Headache (7.6%) Upper respiratory tract infection (4%) Alanine aminotransferase increased (4.7%) Back pain (3.8%) Gamma-glutamyltransferase increased (3.3%) Respiratory tract infection viral (3.3%) Urinary tract infection (3.8%) Hypercholesterolaemia (2.5%) Hypertension (1.3%) Pharyngitis (2.5%) Rhinitis (2%) Upper abdominal pain (1.3%) Sources: https://pubmed.ncbi.nlm.nih.gov/31492651/ Page: 9
0.84 mg 1 times / day multiple, oral Recommended Dose: 0.84 mg, 1 times / day Route: oral Route: multiple Dose: 0.84 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/209899s000lbl.pdf Page: 8	unhealthy, mean age 35.4 years n = 882 Health Status: unhealthy Condition: multiple sclerosis Age Group: mean age 35.4 years Sex: M+F Population Size: 882 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/209899s000lbl.pdf Page: 8	Other AEs: Upper respiratory infection, Transaminases increased... Other AEs: Upper respiratory infection (26%) Transaminases increased (10%) Orthostatic hypotension (4%) Urinary tract infection (4%) Back pain (4%) Hypertension (4%) Abdominal pain upper (2%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/209899s000lbl.pdf Page: 8
0.92 mg 1 times / day multiple, oral Recommended Dose: 0.92 mg, 1 times / day Route: oral Route: multiple Dose: 0.92 mg, 1 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/209899s000lbl.pdf Page: 6	unhealthy, mean age 35.4 years n = 882 Health Status: unhealthy Condition: multiple sclerosis Age Group: mean age 35.4 years Sex: M+F Population Size: 882 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/209899s000lbl.pdf Page: 6	Disc. AE: Hepatic enzymes increased... AEs leading to discontinuation/dose reduction: Hepatic enzymes increased (1%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/209899s000lbl.pdf Page: 6

AEs

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
substrate 1737	inhibitor 1767	inhibitor 1852	inhibitor 1612

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP1A2 1524 CYP2B6 810 CYP2C19 1478 CYP2C8 911 CYP3A 214 P-gp 1461 OATP1B1 788 OATP1B3 706 OAT1 599 OAT3 642 MATE2 263 BCRP 699	alcohol dehydrogenase 7 ALDH 6 AKR1C1 19 AKR1C2 9 11-beta-HSD 3 3-beta-HSD 2 CYP1A1 349 P-gp 1537 BCRP 561 CYP2C8 693	CYP1A2 701 CYP2B6 547 CYP3A 129

Drug as perpetrator

Target	Modality	Activity	Metabolite	Clinical evidence
CYP1A2 1692	inducer 1573 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
CYP1A2 1692	inducer 1573 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
CYP1A2 1692	inducer 1573 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
CYP1A2 1692	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
CYP1A2 1692	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
CYP1A2 1692	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
CYP2B6 1001	inducer 1573 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
CYP2B6 1001	inducer 1573 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
CYP2B6 1001	inducer 1573 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
CYP2B6 1001	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
CYP2B6 1001	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
CYP2B6 1001	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
CYP2C19 1553	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
CYP2C19 1553	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
CYP2C19 1553	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
CYP2C8 965	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
CYP2C8 965	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
CYP2C8 965	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
CYP2C9 1819	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
CYP2C9 1819	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
CYP2C9 1819	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
CYP2D6 1891	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
CYP2D6 1891	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
CYP2D6 1891	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
CYP3A 298	inducer 1573 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
CYP3A 298	inducer 1573 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
CYP3A 298	inducer 1573 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
CYP3A 298	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
CYP3A 298	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
CYP3A 298	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
MATE2 263	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
MATE2 263	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
MATE2 263	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
OAT1 603	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
OAT1 603	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
OAT1 603	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
OAT3 644	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
OAT3 644	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
OAT3 644	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
OATP1B1 803	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
OATP1B1 803	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
OATP1B1 803	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
OATP1B3 715	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
OATP1B3 715	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
OATP1B3 715	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
P-gp 1650	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no
P-gp 1650	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC1084037 2
P-gp 1650	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	no	CC112273 2
BCRP 773	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	yes [IC50 22.8 uM]	CC112273 2	unlikely Comment: At clinically relevant concentrations of CC112273 and CC1084037, inhibition of BCRP is not expected Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0
BCRP 773	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0	yes [IC50 25.2 uM]	CC1084037 2	unlikely Comment: At clinically relevant concentrations of CC112273 and CC1084037, inhibition of BCRP is not expected Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=17 Page: 17.0

Drug as victim

Target	Modality	Activity	Metabolite	Clinical evidence
P-gp 1537	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000PharmR.pdf#page=30 Page: 30.0	likely
ALDH 6	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=11 Page: 11.0	major
alcohol dehydrogenase 7	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=11 Page: 11.0	major
BCRP 561	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000PharmR.pdf#page=30 Page: 30.0	no	CC1084037 2
BCRP 561	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000PharmR.pdf#page=30 Page: 30.0	no	CC112273 2
P-gp 1537	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000PharmR.pdf#page=30 Page: 30.0	no	CC1084037 2
P-gp 1537	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000PharmR.pdf#page=30 Page: 30.0	no	CC112273 2
11-beta-HSD 3	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=11 Page: 11.0	yes	CC1084037 2
3-beta-HSD 2	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=11 Page: 11.0	yes	CC1084037 2
AKR1C1 19	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=11 Page: 11.0	yes	CC1084037 2
AKR1C2 9	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=11 Page: 11.0	yes	CC1084037 2
BCRP 561	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000PharmR.pdf#page=30 Page: 30.0	yes	RP101988 2
CYP1A1 349	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=11 Page: 11.0	yes
P-gp 1537	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000PharmR.pdf#page=30 Page: 30.0	yes	RP101988 2
CYP2C8 693	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000PharmR.pdf#page=31 Page: 31.0	yes	CC112273 2	yes (co-administration study) Comment: Co-administration of gemfibrozil (a strong inhibitor of CYP2C8) 600 mg twice daily at steady state and a single dose of ozanimod 0.46 mg resulted in no clinically meaningful changes in exposure (AUC) of ozanimod and increased exposure (AUC) of active metabolites CC112273 and CC1084037 by approximately 47% and 69%, respectively Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000PharmR.pdf#page=31 Page: 31.0
CYP3A4 1737	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=11 Page: 11.0	yes		yes (co-administration study) Comment: Coadministration of itraconazole (a strong inhibitor of CYP3A4) twice daily at steady state and a single dose of ozanimod 0.46 mg had no significant effect on ozanimod Cmax and AUCinf. Itraconazole decreased the Cmax of the major metabolites CC112273 and approximately 21% and 22%, respectivelyCC1084037 by Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000ClinPharmR.pdf#page=11 Page: 11.0

Tox targets

Target	Modality	Activity	Metabolite	Clinical evidence
hERG 1647	inhibitor 1626 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000PharmR.pdf#page=30 Page: 30.0
hERG 1647	inhibitor 1626 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2020/209899Orig1s000PharmR.pdf#page=30 Page: 30.0		CC112273 2

Sourcing

Vendor/Aggregator	ID	URL
AA Blocks	AA000UPT	https://www.aablocks.com/goods/Goods/detail?id=AA000UPT
Aaron Chemicals	AR000VHL	http://www.aaronchem.com/1306760-87-1
AbMole Bioscience	M5244	http://www.abmole.com/products/ozanimod.html
Achemtek	0102-032368	http://www.achemtek.com/1306760-87-1-3
Acorn PharmaTech	ACN-037518	http://www.acornpharmatech.com/
Adooq BioScience	A15819	https://www.adooq.com/rpc1063.html
BioChemPartner	BCP16513	http://www.biochempartner.com/1306760-87-1-BCP16513
BioCrick	BCC6533	http://www.biocrick.com/Ozanimod-RPC1063-BCC6533.html
Chem Scene	CS-5070	http://www.chemscene.com/1306760-87-1.html
Chemspace	CSSB00025715463	https://chem-space.com/CSSB00025715463
DC Chemicals	DC8281	http://www.dcchemicals.com/product_show-Ozanimod_RPC1063_.html
Excenen	EX-A1316	http://www.excenen.com/searchresultlist.php?id=1306760-87-1
Lab Network	LN01344430	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01344430
MedChem Express	HY-12288	https://www.medchemexpress.com/Ozanimod.html
Smolecule	S538448	http://www.smolecule.com/products/s538448
Synblock Inc	SB16927	http://www.synblock.com/product/1306760-87-1.html
THE BioTek	bt-278101	https://www.thebiotek.com/product/inhibitors/bt-278101
abcr GmbH	AB459325	http://www.abcr.com/shop/en/AB459325
eNovation Chemicals	D567265	https://www.enovationchem.com/ProductDetails.asp?ProductID=D567265
eNovation Chemicals	D580258	https://www.enovationchem.com/ProductDetails.asp?ProductID=D580258
eNovation Chemicals	Y0975701	https://www.enovationchem.com/ProductDetails.asp?ProductID=Y0975701
eNovation Chemicals	Y1040763	https://www.enovationchem.com/ProductDetails.asp?ProductID=Y1040763
iChemical	EBD3724513	http://www.ichemical.com/products/1306760-87-1.html?utm_source=PubChem&utm_medium=website&utm_campaign=product%20catalogs

PubMed

Title	Date	PubMed
Ozanimod (RPC1063) is a potent sphingosine-1-phosphate receptor-1 (S1P1 ) and receptor-5 (S1P5 ) agonist with autoimmune disease-modifying activity.	2016 Jun	26990079
Ozanimod Induction and Maintenance Treatment for Ulcerative Colitis.	2016 May 5	27144850

Patents

Sample Use Guides

In Vivo Use Guide

Multiple Sclerosis: 1 mg RPC1063 (Ozanimod) oral capsule daily

Route of Administration: Oral

In Vitro Use Guide

Ozanimod (RPC1063) is a specific agonist for sphingosine-1-phosphate receptor subtypes 1 (S1P1) and S1P5 receptors. The EC50 values were 0.16 nM and 0.41 nM for S1P1 receptors in the inhibition of cAMP generation and [35S]-GTPγS binding. The 83% Emax value of ozanimod against S1P5 receptor was 11 nM. RPC1063 demonstrated a dose‐dependent effect on S1P1 receptor re‐expression on the cell surface, with near complete and sustained loss of cell surface receptor expression at concentrations above 10 nM in S1P1 receptor-HEK293T cells after 1 h incubation.

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:19:44 GMT 2023` Edited by `admin` on `Fri Dec 15 19:19:44 GMT 2023`
Record UNII	3UPR33JAAM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OZANIMOD HYDROCHLORIDE

Official Name

English

RPC-1063 HYDROCHLORIDE

Code

English

OZANIMOD HYDROCHLORIDE [ORANGE BOOK]

Common Name

English

RPC1063 HCL

Code

English

Ozanimod hydrochloride [WHO-DD]

Common Name

English

RPC-1063 HCL

Code

English

ZEPOSIA

Brand Name

English

RPC1063 HYDROCHLORIDE

Code

English

OZANIMOD HYDROCHLORIDE [USAN]

Common Name

English

OZANIMOD HYDROCHLORIDE [MI]

Common Name

English

BENZONITRILE, 5-(3-((1S)-2,3-DIHYDRO-1-((2-HYDROXYETHYL)AMINO)-1H-INDEN-4-YL)-1,2,4-OXADIAZOL-5-YL)-2-(1-METHYLETHOXY)-, HYDROCHLORIDE (1:1)

Systematic Name

English

OZANIMOD HYDROCHLORIDE [JAN]

Common Name

English

Code System Code Type Description

MERCK INDEX

m12197