Molecule Details
InChIKeyQEKJEYIXQCJHHA-XGTKUTNFSA-N
Compound Name3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-yl]benzamide; oxalic acid
Canonical SMILESO=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccc(Cl)c(Cl)c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL9.26
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P41145 OPRK1 Homo sapiens Human PF00001 9.5 Ki ChEMBL;BindingDB
P35372 OPRM1 Homo sapiens Human PF00001 9.3 Ki ChEMBL;BindingDB
P41143 OPRD1 Homo sapiens Human PF00001 9.0 Ki ChEMBL;BindingDB