CHEMBL4299371


SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)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 VQUPRWGMQYINPZ-CTZPLLSNSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 8
Rotatable bonds 22
Molecular weight (Da) 1119.5

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 7.32 7.32 7.32 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.66 8.66 8.66 ChEMBL
δ OPRD Human Opioid A pKi 8.3 8.3 8.3 ChEMBL
μ OPRM Human Opioid A pKi 9.0 9.0 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.51 7.51 7.51 ChEMBL
δ OPRD Human Opioid A pIC50 7.52 7.72 7.92 ChEMBL
μ OPRM Human Opioid A pIC50 7.41 8.09 8.78 ChEMBL