compound 12e [PMID: 22266036]


SMILES COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)NC1CC1
InChIKey ZUUBRGCTXRXCLV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 363.1

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 8.28 8.28 8.28 Guide to Pharmacology
mGlu1 GRM1 Rat Metabotropic glutamate C pKi 8.28 8.28 8.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
mGlu1 GRM1 Human Metabotropic glutamate C pIC50 7.92 7.92 7.92 Guide to Pharmacology
mGlu1 GRM1 Human Metabotropic glutamate C pIC50 7.92 7.92 7.92 ChEMBL