CHEMBL3144348


SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCc2ccccc2)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
InChIKey XWMARNCIPYMLRK-OPGMZWKHSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 14
Molecular weight (Da) 822.4

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 Rabbit Tachykinin A pKd 5.9 5.9 5.9 ChEMBL
NK1 NK1R Human Tachykinin A pKd 6.8 6.8 6.8 ChEMBL
NK3 NK3R Rat Tachykinin A pKd 5.8 5.8 5.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database