CHEMBL1766206


SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc(C(F)(F)F)c1
InChIKey DDUYZUHEHGIESX-KOKNPPTNSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 10
Rotatable bonds 27
Molecular weight (Da) 1150.6

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 6.85 6.85 6.85 ChEMBL
μ OPRM Rat Opioid A pKi 9.13 9.13 9.13 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.0 9.0 9.0 ChEMBL
δ OPRD Human Opioid A pKi 8.39 8.39 8.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Rat Tachykinin A pIC50 6.41 6.41 6.41 ChEMBL
δ OPRD Mouse Opioid A pIC50 8.06 8.06 8.06 ChEMBL
μ OPRM Rat Opioid A pIC50 8.82 8.82 8.82 ChEMBL
μ OPRM Rat Opioid A pEC50 9.08 9.08 9.08 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 8.66 8.66 8.66 ChEMBL
δ OPRD Human Opioid A pIC50 8.07 8.07 8.07 ChEMBL
δ OPRD Human Opioid A pEC50 9.36 9.53 9.7 ChEMBL