CHEMBL406116


SMILES O=C(C[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIKey KGKDHOIIHVUPEU-KCALIVDUSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 18
Molecular weight (Da) 906.4

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 7.61 7.61 7.61 ChEMBL
κ OPRK Human Opioid A pKi 9.29 9.29 9.29 ChEMBL
μ OPRM Human Opioid A pKd 9.68 9.68 9.68 ChEMBL
μ OPRM Human Opioid A pKi 8.83 8.83 8.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database