BRANEBRUTINIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7LBRZUYSHU

Structure
InChI Key VJPPLCNBDLZIFG-ZDUSSCGKSA-N
Smile CC#CC(=O)N[C@H]1CCCN(c2c(F)cc(C(N)=O)c3[nH]c(C)c(C)c23)C1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23FN4O2
Molecular Weight 370.43
AlogP 2.13
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 91.22
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tyrosine-protein kinase BTK inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 1040 2500 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- - 1300 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - 1300 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- 0-40 1 116 25-100
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 11000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arthritis, Rheumatoid 1 D001172 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297674
DrugBank DB15347
FDA SRS 7LBRZUYSHU
Guide to Pharmacology 9869
PubChem 121293929
SureChEMBL SCHEMBL17699728
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