CHEMBL4646507


SMILES Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(OCCCC5CCCCC5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey GWROYBPWASJEAK-RJKGWOMYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 576.3

Drug properties

Molecular type Small molecule
Endogenous/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 7.89 7.89 7.89 ChEMBL
κ OPRK Human Opioid A pKi 7.24 7.24 7.24 ChEMBL
μ OPRM Human Opioid A pKi 7.02 7.02 7.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 7.54 7.54 7.54 ChEMBL
κ OPRK Human Opioid A pEC50 7.46 7.46 7.46 ChEMBL
μ OPRM Human Opioid A pEC50 7.63 7.63 7.63 ChEMBL