CHEMBL557188


SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey ADVXLVRKUFJJTA-CYLPJFJESA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 10
Rotatable bonds 27
Molecular weight (Da) 1190.5

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
NK1 NK1R Rat Tachykinin A pKi 8.17 8.17 8.17 ChEMBL
μ OPRM Rat Opioid A pKi 7.5 7.5 7.5 ChEMBL
δ OPRD Human Opioid A pKi 9.0 9.0 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Rat Tachykinin A pIC50 7.68 7.68 7.68 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.85 7.85 7.85 ChEMBL
μ OPRM Rat Opioid A pIC50 7.17 7.17 7.17 ChEMBL
μ OPRM Rat Opioid A pEC50 7.74 7.75 7.75 ChEMBL
δ OPRD Human Opioid A pEC50 8.3 8.3 8.3 ChEMBL
δ OPRD Human Opioid A pIC50 8.67 8.67 8.67 ChEMBL