CHEMBL568877


SMILES COc1ccc(CNc2ccc3c(c2)[C@@]24CCCC[C@H]2[C@@H](C3)N(CC2CC2)CC4)cc1
InChIKey CHHRPKMGZRRHBF-KJYTXNCISA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 416.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 7.7 7.7 7.7 ChEMBL
κ OPRK Human Opioid A pKi 9.29 9.29 9.29 ChEMBL
μ OPRM Human Opioid A pKi 9.51 9.51 9.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.28 8.28 8.28 ChEMBL
μ OPRM Human Opioid A pEC50 8.17 8.17 8.17 ChEMBL
μ OPRM Human Opioid A pIC50 8.0 8.0 8.0 ChEMBL