CHEMBL522143


SMILES O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1
InChIKey XQWZTPWKACKUMJ-HJUABUFYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 447.2

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 6.56 6.56 6.56 ChEMBL
κ OPRK Human Opioid A pKi 7.22 7.22 7.22 ChEMBL
μ OPRM Human Opioid A pKi 8.96 9.2 9.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.82 7.82 7.82 ChEMBL
κ OPRK Human Opioid A pEC50 7.54 7.54 7.54 ChEMBL
μ OPRM Human Opioid A pEC50 8.94 8.94 8.94 ChEMBL
μ OPRM Human Opioid A pIC50 7.71 8.33 8.64 ChEMBL