CHEMBL3597600


SMILES Cc1ccc([N+](=O)[O-])c(N2CCC(=CC#Cc3ccc(C#N)cn3)CC2)n1
InChIKey XTUFFCCFMSPHIJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 359.1

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
mGlu1 GRM1 Rat Metabotropic glutamate C pKi 6.72 6.72 6.72 ChEMBL
mGlu5 GRM5 Rat Metabotropic glutamate C pKi 9.4 9.4 9.4 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
mGlu5 GRM5 Human Metabotropic glutamate C pIC50 8.89 8.89 8.89 ChEMBL