CHEMBL297776


SMILES CC(=O)N[C@H](C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1)C(C)O
InChIKey WMFBGXXJQTWHFB-CZAZUPBQSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 14
Molecular weight (Da) 625.3

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
NK3 NK3R Rat Tachykinin A pKd 5.8 5.8 5.8 ChEMBL
NK2 NK2R Rabbit Tachykinin A pKd 5.4 5.4 5.4 ChEMBL
NK1 NK1R Human Tachykinin A pKd 7.1 7.1 7.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Rat Tachykinin A pIC50 6.08 6.08 6.08 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 7.0 7.0 7.0 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 8.22 8.22 8.22 ChEMBL
NK1 NK1R Rat Tachykinin A pIC50 5.47 5.47 5.47 ChEMBL