compound 9a [PMID: 22266036]


SMILES COc1ccc(cc1)n1ccc2c(c1=O)sc1c2c(ccn1)N(C)C
InChIKey KBKYZXCTHJUCOC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 351.1

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 Human Metabotropic glutamate C pKi 8.44 8.44 8.44 Guide to Pharmacology
mGlu1 GRM1 Rat Metabotropic glutamate C pKi 7.77 7.77 7.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
mGlu1 GRM1 Human Metabotropic glutamate C pIC50 8.2 8.2 8.2 Guide to Pharmacology
mGlu1 GRM1 Human Metabotropic glutamate C pIC50 8.2 8.2 8.2 ChEMBL
mGlu5 GRM5 Human Metabotropic glutamate C pIC50 5.33 5.33 5.33 ChEMBL