CHEMBL2179652


SMILES Oc1ccc2c3c1O[C@H]1c4ncc(-c5ccc(Cl)cc5)cc4C[C@@]4(OCCCc5ccccc5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey ZZANZGQVTYIQHJ-RJKGWOMYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 604.2

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 8.68 8.8 8.92 ChEMBL
κ OPRK Human Opioid A pKi 7.21 7.97 8.74 ChEMBL
μ OPRM Human Opioid A pKi 8.12 8.65 9.18 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 8.31 8.31 8.31 ChEMBL
κ OPRK Human Opioid A pEC50 7.9 7.9 7.9 ChEMBL
μ OPRM Human Opioid A pEC50 8.09 8.43 8.76 ChEMBL