CHEMBL3608937


SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey GVRKQRSTDMXZGX-VAQUTSCRSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 8
Rotatable bonds 20
Molecular weight (Da) 939.3

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
μ OPRM Rat Opioid A pKi 7.96 7.96 7.96 ChEMBL
NK1 NK1R Human Tachykinin A pKi 10.3 10.3 10.3 ChEMBL
δ OPRD Human Opioid A pKi 7.24 7.24 7.24 ChEMBL
NK1 NK1R Rat Tachykinin 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 7.89 7.89 7.89 ChEMBL
μ OPRM Rat Opioid A pEC50 7.23 7.23 7.23 ChEMBL
δ OPRD Human Opioid A pEC50 6.8 6.8 6.8 ChEMBL