CHEMBL3704631


SMILES c1ccc2c(c1)nc(C[C@H]1COCCN1)n2[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1
InChIKey ZFJWLWOSYSURLC-XMVZRQGPSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 476.4

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
NOP OPRX Human Opioid A pKi 8.27 8.48 8.69 ChEMBL
δ OPRD Human Opioid A pKi 4.7 4.7 4.7 ChEMBL
κ OPRK Human Opioid A pKi 7.3 7.43 7.5 ChEMBL
μ OPRM Human Opioid A pKi 5.72 5.74 5.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database