CHEMBL2370514


SMILES CCC(C)Cc1cc(CC2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)ccc1OC
InChIKey XDAGGXHDRUKNTB-ABQZONIHSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 7
Rotatable bonds 9
Molecular weight (Da) 800.4

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
NK1 NK1R Human Tachykinin A pKi 5.6 5.6 5.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database