CHEMBL271619


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)NCc1ccccc1
InChIKey VXHMITAKWYIILS-FDXPNMITSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 9
Rotatable bonds 22
Molecular weight (Da) 941.5

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 Human Tachykinin A pKi 7.85 7.85 7.85 ChEMBL
μ OPRM Rat Opioid A pKi 9.19 9.19 9.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.3 7.3 7.3 ChEMBL
μ OPRM Rat Opioid A pEC50 9.15 9.15 9.15 ChEMBL
δ OPRD Human Opioid A pEC50 7.77 7.88 8.0 ChEMBL