CHEMBL4299466


SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N(C)C(=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 PEUVJNALVBXTKV-MJEAINFQSA-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 7.21 7.21 7.21 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.47 8.47 8.47 ChEMBL
δ OPRD Human Opioid A pKi 6.58 6.58 6.58 ChEMBL
μ OPRM Human Opioid A pKi 7.57 7.57 7.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 6.99 6.99 6.99 ChEMBL
δ OPRD Human Opioid A pIC50 6.35 6.35 6.35 ChEMBL
μ OPRM Human Opioid A pIC50 7.05 7.05 7.05 ChEMBL