CHEMBL406030


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)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey IRIFESWSRQBRPW-CKWXOEDFSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 8
Rotatable bonds 22
Molecular weight (Da) 1091.5

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 8.21 8.21 8.21 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.85 8.85 8.85 ChEMBL
μ OPRM Rat Opioid A pKi 8.17 8.17 8.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 6.82 6.82 6.82 ChEMBL
μ OPRM Rat Opioid A pEC50 7.14 7.14 7.14 ChEMBL
δ OPRD Human Opioid A pEC50 6.92 7.21 7.51 ChEMBL