CHEMBL4111378


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nc(C)ns1)C2
InChIKey BMFSUPQQTNVKHG-BZGUEYIMSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 525.2

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 6.21 6.21 6.21 ChEMBL
κ OPRK Human Opioid A pKi 7.82 7.82 7.82 ChEMBL
μ OPRM Human Opioid A pKi 6.93 6.93 6.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.19 6.19 6.19 ChEMBL
κ OPRK Human Opioid A pEC50 6.05 6.05 6.05 ChEMBL