CHEMBL3144353


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

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 702.4

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
NK3 NK3R Rat Tachykinin A pKd 5.1 5.1 5.1 ChEMBL
NK2 NK2R Rabbit Tachykinin A pKd 5.0 5.0 5.0 ChEMBL
NK1 NK1R Human Tachykinin A pKd 6.7 6.7 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Rat Tachykinin A pIC50 6.31 6.31 6.31 ChEMBL
NK1 NK1R Rat Tachykinin A pIC50 4.79 4.79 4.79 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 7.1 7.1 7.1 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 6.9 6.9 6.9 ChEMBL