Details of the Drug

General Information of Drug (ID: DM97I5L)

Drug Name

Branebrutinib

Synonyms

Branebrutinib; BMS-986195; 1912445-55-6; (S)-4-(3-(but-2-ynamido)piperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide; 7LBRZUYSHU; Branebrutinib [USAN]; BMS986195; 4-[(3S)-3-(but-2-ynoylamino)piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide; Branebrutinib (USAN); 1H-Indole-7-carboxamide, 5-fluoro-2,3-dimethyl-4-((3S)-3-((1-oxo-2-butyn-1-yl)amino)-1-piperidinyl)-; 4-((3S)-3-(But-2-ynamido)piperidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide; 4-[(3S)-3-(but-2-ynamido)piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide; UNII-7LBRZUYSHU; BRANEBRUTINIB [INN]; BRANEBRUTINIB [WHO-DD]; GTPL9869; CHEMBL4297674; SCHEMBL17699728; Branebrutinib (BMS-986195); C20H23FN4O2; VJPPLCNBDLZIFG-ZDUSSCGKSA-N; BDBM164638; BDBM166759; BCP29496; EX-A2720; MFCD31631584; NSC807627; s8832; WHO 11026; AKOS037649047; DB15347; NSC-807627; AC-31535; BS-16393; BMS986195; BMS986195; HY-112161; CS-0043577; Example 223 [US20160115126A1]; D11478; EN300-2007801; US9688629, 123; US9688629, 223; Q50825082; 4-((3S)-3-(2-Butynoylamino)-1-piperidinyl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide; (S)-4-(3-(2-BUTYNOYLAMINO)PIPERIDIN-1-YL)-5-FLUORO-2,3-DIMETHYL-1H-INDOLE-7-CARBOXAMIDE; 4-((3S)-3-(2-BUTYNOYLAMINO)-1-PIPERIDINYL)-5-FLUORO-2,3-DIMETHYL-1HINDOLE-7-CARBOXAMIDE

Indication

Disease Entry	ICD 11	Status	REF
Rheumatoid arthritis	FA20	Phase 2	[1]
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Drug Type

Small molecule

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C20H23FN4O2
Canonical SMILES: CC#CC(=O)NC1CCCN(C1)C2=C(C=C(C3=C2C(=C(N3)C)C)C(=O)N)F
InChI: 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
InChIKey: VJPPLCNBDLZIFG-ZDUSSCGKSA-N

Cross-matching ID

PubChem CID: 121293929
TTD ID: DE3VU1

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosine-protein kinase BTK (ATK)	TTGM6VW	BTK_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification

15 Disease of the musculoskeletal system/connective tissue

Disease Class

ICD-11: FA20 Rheumatoid arthritis

The Studied Tissue

Synovial tissue

The Studied Disease

Rheumatoid arthritis [ICD-11:FA20]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tyrosine-protein kinase BTK (ATK)	DTT	BTK	3.54E-01	0.24	0.56

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT04186871) A Randomized, Placebo-Controlled, Double-Blind, Multicenter Study to Assess the Efficacy and Safety of Branebrutinib Treatment in Subjects With Active Systemic Lupus Erythematosus or Primary Sj?gren's Syndrome, or Branebrutinib Treatment Followed by Open-label Abatacept Treatment in Subjects With Active Rheumatoid Arthritis. U.S.National Institutes of Health.
2	Safety, pharmacokinetics and pharmacodynamics of branebrutinib (BMS-986195), a covalent, irreversible inhibitor of Bruton's tyrosine kinase: Randomised phase I, placebo-controlled trial in healthy participants. Br J Clin Pharmacol. 2020 Sep;86(9):1849-1859.