CHEMBL3144352


SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
InChIKey UVQRCXCXWPXVHU-LLWOIICTSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 688.3

Drug properties

Molecular type Small molecule
Endogenous/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 5.7 5.7 5.7 ChEMBL
NK1 NK1R Human Tachykinin A pKd 7.0 7.0 7.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Rat Tachykinin A pIC50 7.19 7.19 7.19 ChEMBL
NK1 NK1R Rat Tachykinin A pIC50 5.19 5.19 5.19 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 7.19 7.19 7.19 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 6.78 6.78 6.78 ChEMBL