CHEMBL522201


SMILES O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cc2ccccc2cn1
InChIKey IZOHFCRCMJBTBF-YSAQZOOCSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 497.2

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
κ OPRK Mouse Opioid A pKi 7.88 7.88 7.88 ChEMBL
μ OPRM Mouse Opioid A pKi 8.96 8.96 8.96 ChEMBL
δ OPRD Mouse Opioid A pKi 6.79 6.79 6.79 ChEMBL
δ OPRD Human Opioid A pKi 6.88 6.88 6.88 ChEMBL
κ OPRK Human Opioid A pKi 7.58 7.58 7.58 ChEMBL
μ OPRM Human Opioid A pKi 8.59 8.93 9.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pEC50 7.96 7.96 7.96 ChEMBL
μ OPRM Mouse Opioid A pEC50 8.48 8.48 8.48 ChEMBL
δ OPRD Mouse Opioid A pEC50 7.01 7.01 7.01 ChEMBL
μ OPRM Human Opioid A pEC50 8.36 8.36 8.36 ChEMBL
μ OPRM Human Opioid A pIC50 6.82 7.79 8.27 ChEMBL