ACALABRUTINIB DIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H23N7O2.2H2O
Molecular Weight	501.5371
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.CC#CC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5

InChI

InChIKey=YDXGIZXBLWJIEC-TXEPZDRESA-N

InChI=1S/C26H23N7O2.2H2O/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20;;/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35);2*1H2/t19-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	C26H23N7O2
Molecular Weight	465.5065
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/?term=26957112

Acalabrutinib, also known as ACP-196, is a novel irreversible second-generation Bruton’s tyrosine kinase (BTK) inhibitor, which prevents the activation of the B-cell antigen receptor (BCR) signaling pathway and that, was rationally designed to be more potent and selective than ibrutinib. This drug in clinical trials phase III for treatment the treatment of relapsed chronic lymphocytic leukemia. Also in combination with others drugs, Acalabrutinib in phase II of clinical trials for the treatment Glioblastoma Multiforme, Mantle Cell Lymphoma, Squamous Cell Carcinoma of the Head and Neck, Rheumatoid Arthritis and some others.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Tyrosine-protein kinase BTK 24 Target ID: CHEMBL5251 Sources: https://www.ncbi.nlm.nih.gov/pubmed/?term=26957112	Inhibitor 8297		3.0 nM [IC50]

Conditions

Condition	Modality	Highest Phase	Product
mantle cell lymphoma 5 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/210259s000lbl.pdf	Primary	Approved 8429	CALQUENCE Approved Use CALQUENCE is indicated for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy. Launch Date 2017
Chronic lymphocytic leukemia 59 Sources: https://clinicaltrials.gov/ct2/show/NCT02477696	Primary	Phase III 656	Unknown Approved Use Unknown
Rheumatoid arthritis 316 Sources: https://clinicaltrials.gov/ct2/show/NCT02387762	Palliative	Phase II 1132	Unknown Approved Use Unknown
Glioblastoma multiforme 30 Sources: https://clinicaltrials.gov/ct2/show/NCT02586857	Primary	Phase II 1132	Unknown Approved Use Unknown
Mantle cell lymphoma 24 Sources: https://clinicaltrials.gov/ct2/show/NCT02213926	Primary	Phase II 1132	Unknown Approved Use Unknown
Head and neck squamous cell carcinoma 32 Sources: https://clinicaltrials.gov/ct2/show/NCT02454179	Primary	Phase II 1132	Unknown Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
827 ng/mL EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/29737219	200 mg 2 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		ACALABRUTINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
323 ng/mL DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/210259s000lbl.pdf	100 mg 2 times / day multiple, oral dose: 100 mg route of administration: Oral experiment type: MULTIPLE co-administered:		ACALABRUTINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

AUC

Value	Dose	Co-administered	Analyte	Population
1850 ng × h/mL EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/29737219	200 mg 2 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		ACALABRUTINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1111 ng × h/mL DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/210259s000lbl.pdf	100 mg 2 times / day multiple, oral dose: 100 mg route of administration: Oral experiment type: MULTIPLE co-administered:		ACALABRUTINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

T_1/2

Value	Dose	Co-administered	Analyte	Population
0.6 h EXPERIMENT https://www.ncbi.nlm.nih.gov/pubmed/29737219	200 mg 2 times / day steady-state, oral dose: 200 mg route of administration: Oral experiment type: STEADY-STATE co-administered:		ACALABRUTINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
0.9 h DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/210259s000lbl.pdf	100 mg 2 times / day multiple, oral dose: 100 mg route of administration: Oral experiment type: MULTIPLE co-administered:		ACALABRUTINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

F_unbound

Value	Dose	Co-administered	Analyte	Population
2.5% DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/210259s000lbl.pdf	100 mg 2 times / day multiple, oral dose: 100 mg route of administration: Oral experiment type: MULTIPLE co-administered:		ACALABRUTINIB plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

Doses

Dose	Population	Adverse events
400 mg 1 times / day steady, oral Highest studied dose Dose: 400 mg, 1 times / day Route: oral Route: steady Dose: 400 mg, 1 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/26641137	unhealthy, 62 years (range: 44–84 years) Health Status: unhealthy Condition: Relapsed Chronic Lymphocytic Leukemia Age Group: 62 years (range: 44–84 years) Sex: M+F Sources: https://pubmed.ncbi.nlm.nih.gov/26641137	Sources: https://pubmed.ncbi.nlm.nih.gov/26641137
100 mg 2 times / day steady, oral Recommended Dose: 100 mg, 2 times / day Route: oral Route: steady Dose: 100 mg, 2 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132	unhealthy, adult n = 610 Health Status: unhealthy Condition: hematological malignancies Age Group: adult Sex: M+F Population Size: 610 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132	Disc. AE: Neoplasms malignant site unspecified NEC, Aortic stenosis... AEs leading to discontinuation/dose reduction: Neoplasms malignant site unspecified NEC (0.2%) Aortic stenosis (0.2%) Dyspnea (0.2%) Leukostasis (0.2%) Thrombocytopenia (0.5%) Pulmonary fibrosis (0.2%) Hemorrhagic bullae (0.2%) Chest pain (non-cardiac) (0.2%) Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132

AEs

AE	Significance	Dose	Population
Aortic stenosis	0.2% Disc. AE	100 mg 2 times / day steady, oral Recommended Dose: 100 mg, 2 times / day Route: oral Route: steady Dose: 100 mg, 2 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132	unhealthy, adult n = 610 Health Status: unhealthy Condition: hematological malignancies Age Group: adult Sex: M+F Population Size: 610 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132
Chest pain (non-cardiac)	0.2% Disc. AE	100 mg 2 times / day steady, oral Recommended Dose: 100 mg, 2 times / day Route: oral Route: steady Dose: 100 mg, 2 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132	unhealthy, adult n = 610 Health Status: unhealthy Condition: hematological malignancies Age Group: adult Sex: M+F Population Size: 610 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132
Dyspnea	0.2% Disc. AE	100 mg 2 times / day steady, oral Recommended Dose: 100 mg, 2 times / day Route: oral Route: steady Dose: 100 mg, 2 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132	unhealthy, adult n = 610 Health Status: unhealthy Condition: hematological malignancies Age Group: adult Sex: M+F Population Size: 610 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132
Hemorrhagic bullae	0.2% Disc. AE	100 mg 2 times / day steady, oral Recommended Dose: 100 mg, 2 times / day Route: oral Route: steady Dose: 100 mg, 2 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132	unhealthy, adult n = 610 Health Status: unhealthy Condition: hematological malignancies Age Group: adult Sex: M+F Population Size: 610 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132
Leukostasis	0.2% Disc. AE	100 mg 2 times / day steady, oral Recommended Dose: 100 mg, 2 times / day Route: oral Route: steady Dose: 100 mg, 2 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132	unhealthy, adult n = 610 Health Status: unhealthy Condition: hematological malignancies Age Group: adult Sex: M+F Population Size: 610 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132
Neoplasms malignant site unspecified NEC	0.2% Disc. AE	100 mg 2 times / day steady, oral Recommended Dose: 100 mg, 2 times / day Route: oral Route: steady Dose: 100 mg, 2 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132	unhealthy, adult n = 610 Health Status: unhealthy Condition: hematological malignancies Age Group: adult Sex: M+F Population Size: 610 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132
Pulmonary fibrosis	0.2% Disc. AE	100 mg 2 times / day steady, oral Recommended Dose: 100 mg, 2 times / day Route: oral Route: steady Dose: 100 mg, 2 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132	unhealthy, adult n = 610 Health Status: unhealthy Condition: hematological malignancies Age Group: adult Sex: M+F Population Size: 610 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132
Thrombocytopenia	0.5% Disc. AE	100 mg 2 times / day steady, oral Recommended Dose: 100 mg, 2 times / day Route: oral Route: steady Dose: 100 mg, 2 times / day Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132	unhealthy, adult n = 610 Health Status: unhealthy Condition: hematological malignancies Age Group: adult Sex: M+F Population Size: 610 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: p. 132

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inducer 781	inhibitor 1767	inhibitor 1852	inhibitor 1612

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP3A4/5 278 CYP2C8 911 CYP1A2 1524 CYP2B6 810 CYP2C19 1478 UGT1A1 204 UGT2B7 146 BCRP 699 MATE1 306 P-gp 1461 CYP3A 214	CYP3A 191 P-gp 1537 BCRP 561 OAT1 326 OAT3 339 OCT2 355 OATP1B1 406 OATP1B3 350 esterase 72	CYP1A2 701 CYP2B6 547

Drug as perpetrator

Target	Modality	Activity	Metabolite	Clinical evidence
CYP2C19 1553	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210259s006s007lbl.pdf Page: 18, 167	no [Ki 8.5 uM]
CYP1A2 1692	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210259s006s007lbl.pdf Page: 18.0	no
CYP2B6 1001	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210259s006s007lbl.pdf Page: 18.0	no
CYP2D6 1891	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210259s006s007lbl.pdf Page: 18.0	no
MATE1 308	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210259s006s007lbl.pdf Page: 19.0	no
UGT1A1 254	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210259s006s007lbl.pdf Page: 18.0	no
UGT2B7 157	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210259s006s007lbl.pdf Page: 18.0	no
P-gp 1650	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 72.0	unlikely		unlikely Comment: acalabrutinib does not inhibit P-gp transporter at clnically relevant concentrations; [I]1/IC50 < 0.1, [I]2/IC50 < 10 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 72.0
CYP2C9 1819	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210259s006s007lbl.pdf Page: 18, 167	weak [Ki 11.3 uM]
CYP1A2 1692	inducer 1573 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210259s006s007lbl.pdf Page: 18.0	weak
CYP2B6 1001	inducer 1573 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210259s006s007lbl.pdf Page: 18.0	weak
CYP3A4 1925	inducer 1573 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210259s006s007lbl.pdf Page: 18.0	weak
BCRP 773	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 72.0	weak		likely Comment: Acalabrutinib is a weak BCRP inhibitor at the intestinal level, per calculations according to FDA Draft Guidance on DDI ([I]1/IC50 < 0.1, [I]2/IC50 = 21); acalabrutinib may increase exposure of BCRP substrates; acalabrutinib may increase methotrexate through inhibition of intestinal BCRP; Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 72.0
CYP2C8 965	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 82.0	yes [Ki 20.6 uM]
CYP3A4/5 335	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 82.0	yes [Ki 23.9 uM]
CYP2C9 1819	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 167.0	yes [Ki 3.3 uM]	ACP-5862 4
CYP2C8 965	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 82.0	yes [Ki 4 uM]	ACP-5862 4
CYP2C19 1553	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 167.0	yes [Ki 8.5 uM]	ACP-5862 4
CYP3A 298	inhibitor 3277 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 82.0	yes	ACP-5862 4

Drug as victim

Target	Modality	Activity	Metabolite	Clinical evidence
OAT1 326	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 62.0	no
OAT3 339	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 62.0	no
OATP1B1 406	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 62.0	no
OATP1B3 350	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 62.0	no
OCT2 355	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 62.0	no
BCRP 561	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 62, 72	yes
P-gp 1537	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 62, 72	yes
esterase 72	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 60, 62	yes
CYP3A 191	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210259s006s007lbl.pdf Page: 17.0	yes		yes (co-administration study) Comment: itraconazole increased acalabrutinib Cmax by 3.9-fold and AUC by 5.1-fold; rifampin decreased acalabrutinib Cmax by 68% and AUC by 77% Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2019/210259s006s007lbl.pdf Page: 17.0
CYP3A 191	substrate 3367 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 62.0	yes	ACP-5862 4	yes (co-administration study) Comment: ketoconazole abolished 100% of ACP-5862 clearance in human liver microsomes Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 62.0

Tox targets

Target	Modality	Activity	Metabolite	Clinical evidence
hERG 1647	inhibitor 1626 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 37, 72
hERG 1647	inhibitor 1626 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/nda/2017/210259Orig1s000MultidisciplineR.pdf Page: 37.0		ACP-5862 4

Sourcing

Vendor/Aggregator	ID	URL
AA Blocks	AA001HJK	https://www.aablocks.com/goods/Goods/detail?id=AA001HJK
Aaron Chemicals	AR001IBC	http://www.aaronchem.com/1420477-60-6
AbMole Bioscience	M5306	http://www.abmole.com/products/acalabrutinib.html
Achemtek	0102-028702	http://www.achemtek.com/1420477-60-6
Acorn PharmaTech	ACN-051536	http://www.acornpharmatech.com/
AvaChem Scientific	6059	https://www.avachem.com/productSearch.asp?6059
BioSynth	J-690166	https://www.biosynth.com/en/products/all-products/products/J-690187.html
Chem Scene	CS-5356	http://www.chemscene.com/1420477-60-6.html
ChemFish Tokyo co.,ltd	71226662	http://www.chemfish.co.jp/index.php?id=3517&project=product
Chemspace	CSSB00020650312	https://chem-space.com/CSSB00020650312
DC Chemicals	DC9660	http://www.dcchemicals.com/product_show-Acalabrutinib_ACP196_.html
Excenen	EX-A881	http://www.excenen.com/searchresultlist.php?id=1420477-60-6
MedChem Express	HY-17600	https://www.medchemexpress.com/Acalabrutinib.html
Smolecule	S516874	http://www.smolecule.com/products/s516874
Synblock Inc	SB19176	http://www.synblock.com/product/1420477-60-6.html
THE BioTek	bt-257009	https://www.thebiotek.com/product/inhibitors/bt-257009
abcr GmbH	AB479415	http://www.abcr.com/shop/en/AB479415
eNovation Chemicals	D543566	http://www.enovationchem.com/productDetails.asp?productID=D543566

PubMed

Title	Date	PubMed
Acalabrutinib (ACP-196) in Relapsed Chronic Lymphocytic Leukemia.	2016 Jan 28	26641137

Sample Use Guides

In Vivo Use Guide

for Chronic Lymphocytic Leukemia: 100 to 400 mg once daily in the dose-escalation (phase 1) portion of the study and 100 mg twice daily in the expansion (phase 2) portion.

Route of Administration: Oral

In Vitro Use Guide

The differential effects of acalabrutinib on primary chronic lymphocytic leukemia (CLL) cells, T cells, NK cells, and epithelial cells were studied by signaling and functional assays. Acalabrutinib inhibited purified ruton’s tyrosine kinase (BTK) with an IC50 of 3 nM and EC50 of 8 nM in a human whole-blood CD69 B cell activation assay. Acalabrutinib was shown to have improved target specificity over ibrutinib with 323-, 94-, 19-, and 9-fold selectivity over the other TEC kinase family members (ITK, TXK, BMX, and TEC, respectively) and no activity against EGFR.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:06:08 GMT 2023` Edited by `admin` on `Sat Dec 16 19:06:08 GMT 2023`
Record UNII	F86EN73XQR
Record Status	`Validated (UNII)`
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Name

Type

Language

ACALABRUTINIB DIHYDRATE

Common Name

English

BENZAMIDE, 4-(8-AMINO-3-((2S)-1-(1-OXO-2-BUTYN-1-YL)-2-PYRROLIDINYL)IMIDAZO(1,5-A)PYRAZIN-1-YL)-N-2-PYRIDINYL-, HYDRATE (1:2)

Common Name

English

Code System Code Type Description

CAS

2648852-74-6

Created by admin on Sat Dec 16 19:06:09 GMT 2023 , Edited by admin on Sat Dec 16 19:06:09 GMT 2023

PRIMARY

PUBCHEM

156749065

Created by admin on Sat Dec 16 19:06:09 GMT 2023 , Edited by admin on Sat Dec 16 19:06:09 GMT 2023

PRIMARY

FDA UNII

F86EN73XQR

Created by admin on Sat Dec 16 19:06:09 GMT 2023 , Edited by admin on Sat Dec 16 19:06:09 GMT 2023

PRIMARY

Related Record Type Details


					I42748ELQW

ACALABRUTINIB

PARENT -> SALT/SOLVATE

Amount:


					I42748ELQW

ACALABRUTINIB

ANHYDROUS->SOLVATE

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/?term=26957112

Originator

Approval Year

Targets

Conditions

Approved Use

Launch Date

Approved Use

Approved Use

Approved Use

Approved Use

Approved Use

Cmax

AUC

T1/2

Funbound

Doses

AEs

Overview

OverviewOther

Drug as perpetrator​

Drug as victim

Tox targets

Sourcing

PubMed

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/?term=26957112

C_max

T_1/2

F_unbound

Drug as perpetrator