Molecule Details
InChIKeyCZRITFDAPBAXMY-SMAWTLEESA-N
Compound Name(2S)-N-[(1S,2S,4R)-7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-2-bicyclo[2.2.1]heptanyl]-2-(methylamino)-4-methylsulfonylbutanamide
Canonical SMILESCN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.08
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P30559 OXTR Homo sapiens Human PF00001 8.3 Ki ChEMBL;BindingDB
P30518 AVPR2 Homo sapiens Human PF00001 6.7 Ki ChEMBL
P37288 AVPR1A Homo sapiens Human PF00001 PF08983 6.2 Ki ChEMBL