CHEMBL3360198


SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)c1ccccc1)C(N)=O
InChIKey JHTXOAZTMAHWSM-UITSJQIPSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 9
Rotatable bonds 30
Molecular weight (Da) 1173.5

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
NK2 NK2R Human Tachykinin A pKi 8.83 8.83 8.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database