Molecule Details
InChIKeyCWXNEODDUDWHDU-WKRVVKTRSA-N
Compound Name(2S)-N-[(3S)-5-[[2-cyano-1-(2-cyanophenyl)indol-3-yl]methyl]-4-oxospiro[3H-1,5-benzoxazepine-2,4'-oxane]-3-yl]-2-(methylamino)propanamide
Canonical SMILESCN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C#N)n(-c3ccccc3C#N)c3ccccc23)c2ccccc2OC12CCOCC2
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.67
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P98170 XIAP Homo sapiens Human PF00653 PF21290 PF13920 7.5 IC50 ChEMBL;BindingDB
Q13490 BIRC2 Homo sapiens Human PF00653 PF00619 PF21290 PF13920 6.6 IC50 ChEMBL
P08684 CYP3A4 Homo sapiens Human PF00067 6.0 Ki ChEMBL