Molecule Details
InChIKeyBBERRDWXGILBQQ-UHFFFAOYSA-N
Compound Name2-[(3-methyloxetan-3-yl)methylamino]-4-(2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydro-1H-pyrido[3,4-b]indol-9-yl)benzamide
Canonical SMILESCN1CCc2c3c(n(-c4ccc(C(N)=O)c(NCC5(C)COC5)c4)c2C1)CC(C)(C)CC3=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL6.92
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P07900 HSP90AA1 Homo sapiens Human PF13589 PF00183 7.5 Ki ChEMBL;BindingDB
P08238 HSP90AB1 Homo sapiens Human PF13589 PF00183 7.0 IC50 ChEMBL;BindingDB
P14625 HSP90B1 Homo sapiens Human PF13589 PF00183 6.2 Ki ChEMBL;BindingDB