CHEMBL3609620


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)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey ZGKMSCDQIDVSIK-FNFCYJGBSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 11
Molecular weight (Da) 692.2

Drug properties

Molecular type Small molecule
Endogenous/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 9.52 9.52 9.52 ChEMBL
δ OPRD Human Opioid A pKi 9.1 9.1 9.1 ChEMBL
NK1 NK1R Human Tachykinin A pKi 10.8 10.8 10.8 ChEMBL
NK1 NK1R Rat Tachykinin A pKi 9.55 9.55 9.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 6.4 6.4 6.4 ChEMBL
μ OPRM Rat Opioid A pEC50 8.8 8.8 8.8 ChEMBL
δ OPRD Human Opioid A pEC50 7.92 7.92 7.92 ChEMBL