CHEMBL3597596


SMILES Cc1cccc(C#CC=C2CCN(c3ccccc3[N+](=O)[O-])CC2)n1
InChIKey GTADKUQSONAGQH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 333.1

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
mGlu1 GRM1 Rat Metabotropic glutamate C pKi 7.15 7.15 7.15 ChEMBL
mGlu5 GRM5 Rat Metabotropic glutamate C pKi 9.7 9.7 9.7 ChEMBL
mGlu5 GRM5 Human Metabotropic glutamate C pKi 9.52 9.52 9.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
mGlu1 GRM1 Rat Metabotropic glutamate C pIC50 6.26 6.26 6.26 ChEMBL
mGlu5 GRM5 Human Metabotropic glutamate C pIC50 7.98 7.98 7.98 ChEMBL