CHEMBL3262090


SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey QYHVPWDIPSDDCT-QDVRVZIDSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 473.3

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
μ OPRM Rat Opioid A pKi 8.9 8.9 8.9 ChEMBL
δ OPRD Human Opioid A pKi 8.59 8.59 8.59 ChEMBL
κ OPRK Human Opioid A pKi 8.36 8.36 8.36 ChEMBL
μ OPRM Human Opioid A pKi 8.89 8.89 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.34 8.34 8.34 ChEMBL
κ OPRK Human Opioid A pEC50 8.96 8.96 8.96 ChEMBL
μ OPRM Human Opioid A pEC50 7.98 7.98 7.98 ChEMBL