CHEMBL216558


SMILES O=C1CC[C@@]2(NC/C=C/Cc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIKey RTIXOOXRVMHTBL-CHXIJPCNSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 504.2

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 8.18 8.18 8.18 ChEMBL
κ OPRK Human Opioid A pKi 8.43 8.43 8.43 ChEMBL
μ OPRM Human Opioid A pKi 8.72 8.72 8.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 8.47 8.47 8.47 ChEMBL
κ OPRK Human Opioid A pIC50 8.46 8.46 8.46 ChEMBL
μ OPRM Human Opioid A pIC50 8.92 8.92 8.92 ChEMBL