CHEMBL4633348


SMILES Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccccc5)cc4C[C@@]4(OCCCc5ccc(F)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey CRVXLQKAPLCTCE-RJKGWOMYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 588.3

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 7.96 7.96 7.96 ChEMBL
μ OPRM Human Opioid A pKi 7.15 7.15 7.15 ChEMBL
κ OPRK Human Opioid A pKi 7.22 7.22 7.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 7.2 7.2 7.2 ChEMBL
μ OPRM Human Opioid A pEC50 7.03 7.03 7.03 ChEMBL