CHEMBL297756


SMILES Cc1ccc(/C=C/C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5C3(CCN4CC3CC3)[C@H]2O6)cc1
InChIKey JZKZQHCZPOYVJT-GPBMLUTFSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 486.3

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
κ OPRK Guinea pig Opioid A pKi 6.77 8.0 9.22 ChEMBL
δ OPRD Human Opioid A pKi 8.02 8.02 8.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 4.77 4.77 4.77 ChEMBL
κ OPRK Guinea pig Opioid A pIC50 7.9 7.9 7.9 ChEMBL