CHEMBL3609621


SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey HVVQYXZAJOSRJZ-FNFCYJGBSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 6
Rotatable bonds 11
Molecular weight (Da) 691.3

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
μ OPRM Rat Opioid A pKi 8.62 8.62 8.62 ChEMBL
δ OPRD Human Opioid A pKi 7.19 7.19 7.19 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.07 9.07 9.07 ChEMBL
NK1 NK1R Rat Tachykinin A pKi 7.04 7.04 7.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pEC50 8.28 8.28 8.28 ChEMBL
δ OPRD Human Opioid A pEC50 7.62 7.62 7.62 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.39 7.39 7.39 ChEMBL