CHEMBL4634007


SMILES Oc1ccc2c3c1O[C@H]1c4ncc(-c5cn[nH]c5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey PLWQRLAFMYHQGR-OGICNVKRSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 560.3

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
δ OPRD Human Opioid A pKi 6.59 6.59 6.59 ChEMBL
κ OPRK Human Opioid A pKi 7.53 7.53 7.53 ChEMBL
μ OPRM Human Opioid A pKi 6.92 6.92 6.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 9.21 9.21 9.21 ChEMBL
μ OPRM Human Opioid A pEC50 8.48 8.48 8.48 ChEMBL