CHEMBL3608938


SMILES CCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey HNLXDBKQNYDVCI-WFKCRPRESA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 8
Rotatable bonds 22
Molecular weight (Da) 981.4

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 9.24 9.24 9.24 ChEMBL
μ OPRM Rat Opioid A pKi 7.48 7.48 7.48 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.47 9.47 9.47 ChEMBL
δ OPRD Human Opioid A pKi 8.8 8.8 8.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.22 8.22 8.22 ChEMBL
μ OPRM Rat Opioid A pEC50 7.6 7.6 7.6 ChEMBL
δ OPRD Human Opioid A pEC50 9.42 9.42 9.42 ChEMBL