Molecule Details
InChIKeyGNMUEVRJHCWKTO-FQEVSTJZSA-N
Compound Name(6S)-4-(4-Chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-6-acetamide
Canonical SMILESCc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.78
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB15189
Drug NameBirabresib
CAS Number202590-98-5
Groups investigational
ATC Codes nan
DescriptionBirabresib is under investigation in clinical trial NCT02698176 (A Dose Exploration Study With MK-8628 in Participants With Selected Advanced Solid Tumors (MK-8628-006)).

Categories: Amides Amines Anilides Aniline Compounds Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50092312 ChEBI: 191051 CHEMBL3581647 ChemSpider: 8112374 PDB: 6JE Wikipedia: Birabresib ZINC: ZINC000003960759
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q15059 BRD3 Homo sapiens Human PF17035 PF00439 8.0 Ki ChEMBL;BindingDB
O60885 BRD4 Homo sapiens Human PF17035 PF17105 PF00439 7.8 IC50 ChEMBL;BindingDB
P25440 BRD2 Homo sapiens Human PF17035 PF00439 7.6 IC50 ChEMBL;BindingDB
DrugBank Target Actions (2)
Target Gene Target Name Action Type
O60885 BRD4 Bromodomain-containing protein 4 modulator targets
P25440 BRD2 Bromodomain-containing protein 2 modulator targets