CHEMBL4107680


SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(N)c5c4[C@@]3(CCN1C)[C@H]2O5
InChIKey CUAYKCKUHHCHSI-RHRQCQTHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 446.3

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 6.39 6.39 6.39 ChEMBL
κ OPRK Human Opioid A pKi 9.55 9.55 9.55 ChEMBL
μ OPRM Human Opioid A pKi 8.69 8.69 8.69 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.56 6.56 6.56 ChEMBL
κ OPRK Human Opioid A pEC50 7.39 7.39 7.39 ChEMBL
μ OPRM Human Opioid A pEC50 7.25 7.25 7.25 ChEMBL