CHEMBL421062


SMILES CC(C)C[C@@H]1NC[C@@H](CC(C)C)NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC1=O
InChIKey DWPNGIXRJQQAFI-LTWKBGODSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 8
Rotatable bonds 11
Molecular weight (Da) 744.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Golden hamster Tachykinin A pKd 7.8 7.8 7.8 ChEMBL
NK2 NK2R Rabbit Tachykinin A pKd 6.95 6.95 6.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database