CHEMBL4111233


SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(NS(C)(=O)=O)c5c4[C@@]3(CCN1C)[C@H]2O5
InChIKey DIIUDCDSVQJDAE-ZYGOFEOWSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 524.2

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 6.13 6.13 6.13 ChEMBL
κ OPRK Human Opioid A pKi 9.28 9.28 9.28 ChEMBL
μ OPRM Human Opioid A pKi 7.68 7.68 7.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.32 6.32 6.32 ChEMBL
κ OPRK Human Opioid A pEC50 7.15 7.15 7.15 ChEMBL
μ OPRM Human Opioid A pEC50 7.1 7.1 7.1 ChEMBL