CHEMBL1198704


SMILES CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1
InChIKey COQVMBCVISUHKI-MFVFZHPYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 502.3

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 8.85 8.85 8.85 ChEMBL
κ OPRK Human Opioid A pKi 9.43 9.43 9.43 ChEMBL
μ OPRM Human Opioid A pKi 8.96 8.96 8.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 9.52 9.52 9.52 ChEMBL
κ OPRK Human Opioid A pEC50 9.4 9.4 9.4 ChEMBL
μ OPRM Human Opioid A pEC50 5.4 5.4 5.4 ChEMBL
NOP OPRX Human Opioid A pEC50 7.82 7.82 7.82 ChEMBL