CHEMBL3667195


SMILES C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(=O)NCCc5ccc(-c6c[nH]c(=O)[nH]c6=O)cc5)c(O)c4[C@@]2(CCN3C)C1
InChIKey PBXQPVQDVLHYHN-RYHYHUEASA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 542.3

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
κ OPRK Human Opioid A pKi 6.0 6.0 6.0 ChEMBL
μ OPRM Human Opioid A pKi 8.46 8.46 8.46 ChEMBL
δ OPRD Human Opioid A pKi 7.01 7.01 7.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database