CHEMBL438389


SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=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)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey LWOMHJBSXPGKKS-REAJPLCASA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 9
Rotatable bonds 22
Molecular weight (Da) 1077.5

Drug properties

Molecular type Small molecule
Endogenous/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 7.48 7.48 7.48 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.21 9.21 9.22 ChEMBL
μ OPRM Rat Opioid A pKi 8.02 8.02 8.02 ChEMBL
δ OPRD Human Opioid A pKi 7.14 7.14 7.14 ChEMBL
μ OPRM Human Opioid A pKi 8.02 8.02 8.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.35 7.35 7.35 ChEMBL
μ OPRM Rat Opioid A pEC50 7.24 7.24 7.24 ChEMBL
δ OPRD Human Opioid A pEC50 7.1 7.12 7.14 ChEMBL
δ OPRD Human Opioid A pIC50 6.8 6.8 6.8 ChEMBL
μ OPRM Human Opioid A pIC50 7.7 7.7 7.7 ChEMBL