Molecule Details
InChIKeyRSJAXPUYVJKAAA-MJEROREJSA-N
Compound Name(2R)-5-(diaminomethylideneamino)-N-[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]-2-[[2-[1-[2-oxo-2-[4-(6-oxo-5,11-dihydrobenzo[c][1]benzazepin-11-yl)piperazin-1-yl]ethyl]cyclopentyl]acetyl]amino]pentanamide
Canonical SMILESN=C(N)NCCC[C@@H](NC(=O)CC1(CC(=O)N2CCN(C3c4ccccc4NC(=O)c4ccccc43)CC2)CCCC1)C(=O)NCCn1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Homologous
Avg pChEMBL6.86
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P49146 NPY2R Homo sapiens Human PF00001 8.5 IC50 ChEMBL
P35372 OPRM1 Homo sapiens Human PF00001 6.5 Ki ChEMBL
P35348 ADRA1A Homo sapiens Human PF00001 6.4 Ki ChEMBL
P41145 OPRK1 Homo sapiens Human PF00001 6.0 Ki ChEMBL