CHEMBL507340


SMILES CSCC[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 UTXLSPLKQGPIPL-WXYSSXJFSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 10
Rotatable bonds 27
Molecular weight (Da) 1208.5

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
NK2 NK2R Rat Tachykinin A pKi 8.14 8.14 8.14 ChEMBL
NK1 NK1R Rat Tachykinin A pKi 8.14 8.14 8.14 ChEMBL
μ OPRM Rat Opioid A pKi 7.8 7.8 7.8 ChEMBL
δ OPRD Human Opioid A pKi 9.18 9.18 9.18 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Rat Tachykinin A pIC50 7.61 7.61 7.61 ChEMBL
NK1 NK1R Rat Tachykinin A pIC50 7.6 7.61 7.61 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.82 7.82 7.82 ChEMBL
μ OPRM Rat Opioid A pEC50 8.15 8.15 8.16 ChEMBL
μ OPRM Rat Opioid A pIC50 7.4 7.43 7.44 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 10.9 10.9 10.9 ChEMBL
δ OPRD Human Opioid A pIC50 8.8 8.83 8.84 ChEMBL
δ OPRD Human Opioid A pEC50 8.07 8.08 8.1 ChEMBL