Molecule Details
InChIKeyUMKFEBPIMJKDEA-LILGDFOTSA-N
Compound NameN'-[2-[(1S,2S,13R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-7-yl]ethyl]propanimidamide
Canonical SMILESCCC(=N)NCCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)C2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.26
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 9.6 Ki ChEMBL;BindingDB
P41143 OPRD1 Homo sapiens Human PF00001 7.7 Ki ChEMBL;BindingDB
P35372 OPRM1 Homo sapiens Human PF00001 7.6 Ki ChEMBL;BindingDB