CHEMBL334721


SMILES CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CNC(=O)C[C@H](NC1=O)C(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2
InChIKey CFDNUNSOUUFTQO-HPMAGDRPSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Protein
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Guinea pig Tachykinin A pKd 7.63 7.63 7.63 ChEMBL
NK2 NK2R Rat Tachykinin A pKd 8.21 8.21 8.21 ChEMBL
NK2 NK2R Human Tachykinin A pKi 9.2 9.2 9.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Golden hamster Tachykinin A pIC50 10.1 10.1 10.1 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 6.1 6.1 6.1 ChEMBL