CHEMBL3144343


SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C=O)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
InChIKey CSVWVGRJWUUHQN-LRAUYJCASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 13
Molecular weight (Da) 716.3

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 4.9 4.9 4.9 ChEMBL
NK2 NK2R Rabbit Tachykinin A pKd 4.9 4.9 4.9 ChEMBL
NK1 NK1R Human Tachykinin A pKd 6.5 6.5 6.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Rat Tachykinin A pIC50 6.85 6.85 6.85 ChEMBL
NK1 NK1R Rat Tachykinin A pIC50 4.98 4.98 4.98 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 7.27 7.27 7.27 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 7.77 7.77 7.77 ChEMBL