CHEMBL221421


SMILES CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c4c(n2Cc2ccccc2)CCCC4)C[C@@]3(O)C1C5
InChIKey IEAHEBXTBRYCRM-JYBLDVITSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 468.2

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 7.74 7.74 7.74 ChEMBL
κ OPRK Human Opioid A pKi 6.54 6.54 6.54 ChEMBL
μ OPRM Human Opioid A pKi 7.05 7.05 7.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.01 8.01 8.01 ChEMBL
κ OPRK Human Opioid A pEC50 5.76 5.76 5.76 ChEMBL
μ OPRM Human Opioid A pEC50 6.13 6.13 6.13 ChEMBL