CHEMBL2370513


SMILES COc1ccc(C(O)C2NC(=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)cc1CC=C(C)C
InChIKey AKYTXQMNKDSGBV-MTLCXYRFSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 8
Rotatable bonds 8
Molecular weight (Da) 814.4

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 Human Tachykinin A pKi 5.8 5.8 5.8 ChEMBL
NK1 NK1R Human Tachykinin A pKi 6.92 6.92 6.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database