CHEMBL435717


SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)c1cnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)o1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChIKey CTROPGQRZRACJN-DEOBGGBKSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 8
Rotatable bonds 21
Molecular weight (Da) 917.5

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
NK1 NK1R Guinea pig Tachykinin A pKd 6.3 6.3 6.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database