CHEMBL575451


SMILES COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C#Cc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey WPTDDCGSFHIWLR-QVDUQQMDSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 482.2

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 7.55 7.55 7.55 ChEMBL
κ OPRK Human Opioid A pKi 8.11 8.11 8.11 ChEMBL
μ OPRM Human Opioid A pKi 8.84 8.84 8.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.12 7.12 7.12 ChEMBL
κ OPRK Human Opioid A pEC50 8.5 8.5 8.5 ChEMBL