Chembl1739441


SMILES O=C(O)CN[C@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIKey ZJWDRJAMCPEBDA-CBDXKTNESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 518.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Rat Opioid A pKi 9.19 9.19 9.19 ChEMBL
μ OPRM Rat Opioid A pKi 9.57 9.57 9.57 ChEMBL
δ OPRD Human Opioid A pEC50 9.16 9.16 9.16 ChEMBL
κ OPRK Human Opioid A pEC50 8.89 8.89 8.89 ChEMBL
μ OPRM Human Opioid A pEC50 9.16 9.16 9.16 ChEMBL