IBC 293


SMILES OC(=O)c1ccc2c(c1)nnn2C(C)C
InChIKey RUTVRAJKELSHCC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 205.1

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
mGlu5 GRM5 Human Metabotropic glutamate C pKd 7.5 7.5 7.5 Guide to Pharmacology
mGlu5 GRM5 Rat Metabotropic glutamate C pKd 7.3 7.3 7.3 Guide to Pharmacology
mGlu1 GRM1 Human Metabotropic glutamate C pKi 8.17 8.17 8.17 ChEMBL
mGlu5 GRM5 Rat Metabotropic glutamate C pKi 6.5 6.5 6.5 ChEMBL
mGlu5 GRM5 Human Metabotropic glutamate C pKi 6.79 7.35 8.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
mGlu5 GRM5 Human Metabotropic glutamate C pIC50 7.2 7.2 7.2 Guide to Pharmacology
mGlu5 GRM5 Rat Metabotropic glutamate C pIC50 6.34 6.81 7.29 ChEMBL
mGlu5 GRM5 Human Metabotropic glutamate C pIC50 6.48 7.24 7.44 ChEMBL