BRANEBRUTINIB

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H23FN4O2
Molecular Weight	370.4206
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC#CC(=O)N[C@H]1CCCN(C1)C2=C3C(C)=C(C)NC3=C(C=C2F)C(N)=O

InChI

InChIKey=VJPPLCNBDLZIFG-ZDUSSCGKSA-N

InChI=1S/C20H23FN4O2/c1-4-6-16(26)24-13-7-5-8-25(10-13)19-15(21)9-14(20(22)27)18-17(19)11(2)12(3)23-18/h9,13,23H,5,7-8,10H2,1-3H3,(H2,22,27)(H,24,26)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H23FN4O2
Molecular Weight	370.4206
Charge	0
Count

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

Approval Year

C_max

Value	Dose	Analyte	Population
1.7 ng/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	0.3 mg single, oral dose: 0.3 mg route of administration: Oral experiment type: SINGLE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
4.6 ng/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	1 mg single, oral dose: 1 mg route of administration: Oral experiment type: SINGLE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
14.2 ng/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	3 mg single, oral dose: 3 mg route of administration: Oral experiment type: SINGLE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
66.6 ng/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	10 mg single, oral dose: 10 mg route of administration: Oral experiment type: SINGLE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
179 ng/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	30 mg single, oral dose: 30 mg route of administration: Oral experiment type: SINGLE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
2.2 ng/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	0.3 mg 1 times / day steady-state, oral dose: 0.3 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
5.9 ng/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	1 mg 1 times / day steady-state, oral dose: 1 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
17.8 ng/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	3 mg 1 times / day steady-state, oral dose: 3 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
60.5 ng/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	10 mg 1 times / day steady-state, oral dose: 10 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
2 ng/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	0.3 mg 1 times / day steady-state, oral dose: 0.3 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
16.3 ng/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	3 mg 1 times / day steady-state, oral dose: 3 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
97.2 ng/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	10 mg 1 times / day steady-state, oral dose: 10 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

AUC

Value	Dose	Analyte	Population
2.4 ng × h/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	0.3 mg single, oral dose: 0.3 mg route of administration: Oral experiment type: SINGLE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
8.1 ng × h/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	1 mg single, oral dose: 1 mg route of administration: Oral experiment type: SINGLE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
24.5 ng × h/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	3 mg single, oral dose: 3 mg route of administration: Oral experiment type: SINGLE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
100 ng × h/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	10 mg single, oral dose: 10 mg route of administration: Oral experiment type: SINGLE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
282 ng × h/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	30 mg single, oral dose: 30 mg route of administration: Oral experiment type: SINGLE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
3.7 ng × h/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	0.3 mg 1 times / day steady-state, oral dose: 0.3 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
10.5 ng × h/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	1 mg 1 times / day steady-state, oral dose: 1 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
30.6 ng × h/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	3 mg 1 times / day steady-state, oral dose: 3 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
101 ng × h/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	10 mg 1 times / day steady-state, oral dose: 10 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
3.2 ng × h/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	0.3 mg 1 times / day steady-state, oral dose: 0.3 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
27.4 ng × h/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	3 mg 1 times / day steady-state, oral dose: 3 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
139 ng × h/mL CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	10 mg 1 times / day steady-state, oral dose: 10 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

T_1/2

Value	Dose	Analyte	Population
1.22 h CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	0.3 mg single, oral dose: 0.3 mg route of administration: Oral experiment type: SINGLE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1.59 h CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	1 mg single, oral dose: 1 mg route of administration: Oral experiment type: SINGLE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1.73 h CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	3 mg single, oral dose: 3 mg route of administration: Oral experiment type: SINGLE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1.56 h CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	10 mg single, oral dose: 10 mg route of administration: Oral experiment type: SINGLE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1.63 h CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	30 mg single, oral dose: 30 mg route of administration: Oral experiment type: SINGLE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1.3 h CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	0.3 mg 1 times / day steady-state, oral dose: 0.3 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1.66 h CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	1 mg 1 times / day steady-state, oral dose: 1 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1.64 h CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	3 mg 1 times / day steady-state, oral dose: 3 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1.74 h CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	10 mg 1 times / day steady-state, oral dose: 10 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
0.91 h CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	0.3 mg 1 times / day steady-state, oral dose: 0.3 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1.51 h CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	3 mg 1 times / day steady-state, oral dose: 3 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN
1.7 h CLINICAL TRIAL https://pubmed.ncbi.nlm.nih.gov/32198939/	10 mg 1 times / day steady-state, oral dose: 10 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	BRANEBRUTINIB plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN

F_unbound

Value	Dose	Co-administered	Analyte	Population
1.2% EXPERIMENT https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.9b00167	unknown		BRANEBRUTINIB plasma	Homo sapiens population: UNKNOWN age: UNKNOWN sex: UNKNOWN food status: UNKNOWN

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:53:17 GMT 2025` Edited by `admin` on `Tue Apr 01 20:53:17 GMT 2025`
Record UNII	7LBRZUYSHU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BRANEBRUTINIB

Official Name

English

BMS-986195

Preferred Name

English

branebrutinib [INN]

Common Name

English

BRANEBRUTINIB [USAN]

Common Name

English

1H-INDOLE-7-CARBOXAMIDE, 5-FLUORO-2,3-DIMETHYL-4-((3S)-3-((1-OXO-2-BUTYN-1-YL)AMINO)-1-PIPERIDINYL)-

Systematic Name

English

(S)-4-(3-(2-BUTYNOYLAMINO)PIPERIDIN-1-YL)-5-FLUORO-2,3-DIMETHYL-1H-INDOLE-7-CARBOXAMIDE

Systematic Name

English

Branebrutinib [WHO-DD]

Common Name

English

4-((3S)-3-(2-BUTYNOYLAMINO)-1-PIPERIDINYL)-5-FLUORO-2,3-DIMETHYL-1HINDOLE-7-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

DRUG BANK

DB15347