CHEMBL4107594


SMILES O=C(O)[C@H]1CCN1c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)c1=O
InChIKey ZELGCSSWSLNFRN-UTZFDERYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 504.3

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 5.19 5.19 5.19 ChEMBL
κ OPRK Human Opioid A pKi 6.73 6.73 6.73 ChEMBL
μ OPRM Human Opioid A pKi 6.87 6.87 6.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pEC50 6.33 6.33 6.33 ChEMBL