CHEMBL4106985


SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1cc4ccccc4s1)[C@H]1Cc4ccc(OCCO)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey CLVRCDVMIOGLTN-NNSRDABESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 587.3

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
μ OPRM Human Opioid A pKi 8.2 8.2 8.2 ChEMBL
δ OPRD Human Opioid A pKi 6.56 6.56 6.56 ChEMBL
κ OPRK Human Opioid A pKi 8.6 8.6 8.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pEC50 5.49 5.49 5.49 ChEMBL
δ OPRD Human Opioid A pEC50 5.09 5.09 5.09 ChEMBL
κ OPRK Human Opioid A pEC50 8.12 8.12 8.12 ChEMBL