CHEMBL4634862


SMILES Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(OCCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey QCAAUOYUXPHLKT-QJMCPCMJSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 584.3

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 7.84 7.84 7.84 ChEMBL
κ OPRK Human Opioid A pKi 7.24 7.24 7.24 ChEMBL
μ OPRM Human Opioid A pKi 7.04 7.04 7.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 7.18 7.18 7.18 ChEMBL
μ OPRM Human Opioid A pEC50 7.61 7.61 7.61 ChEMBL