Molecule Details
InChIKeyAXESFHQRSKLGNZ-UHFFFAOYSA-N
Compound Name2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-(4-((6-(4-chlorophenyl)spiro[3.5]non-6-en-7-yl)methyl)piperazin-1-yl)-N-((2-isopropyl-7-nitro-1H-benzo[d]imidazol-5-yl)sulfonyl)benzamide
Canonical SMILESCC(C)c1nc2cc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC6(CCC6)CC5)CC4)cc3Oc3cnc4[nH]ccc4c3)cc([N+](=O)[O-])c2[nH]1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.07
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P10415 BCL2 Homo sapiens Human PF00452 PF02180 8.4 IC50 ChEMBL;BindingDB
O43521 BCL2L11 Homo sapiens Human PF08945 PF06773 8.1 IC50 BindingDB
Q07817 BCL2L1 Homo sapiens Human PF00452 PF02180 7.7 IC50 BindingDB