Details of the Drug-Related molecule(s) Expression Atlas

General Information of Drug (ID: DMQUDR1)

• Drug Name: 3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile Drug Info
• Synonyms: 3-[(2-Methyl-4-thiazolyl)ethynyl]benzonitrile; CHEMBL201943; MTEB; SCHEMBL4153877; Benzonitrile, 3-[2-(2-methyl-4-thiazolyl)ethynyl]-; GTPL1428; 3-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]benzonitrile; BDBM50181745

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1] , [2]

• Cross-matching ID:
  PubChem CID: 11535913
  TTD Drug ID: DMQUDR1

Molecule(s) Related to This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 5 (mGluR5)	TTHS256	GRM5_HUMAN	Inhibitor	[3] , [2]

The Expression Level of Molecule(s) in Normal Tissue of Major ADME-Related Organs

Molecule	Molecule Type	Gene Name	Liver	Colon	Kidney	Small Intestine
Metabotropic glutamate receptor 5 (mGluR5)	DTT	GRM5	3.621	1.888	3.567	4.318

The Expression Level of Molecule(s) between Disease Section and Healthy Individual Tissue

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Metabotropic glutamate receptor 5 (mGluR5)	DTT	GRM5	9.81E-07	-0.26	-0.54

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1428).
• [2] Synthesis and structure-activity relationships of 3-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine analogues as potent, noncompetitive metabotropic g... J Med Chem. 2006 Feb 9;49(3):1080-100.
• [3] Discovery of novel modulators of metabotropic glutamate receptor subtype-5. Bioorg Med Chem. 2004 Jan 2;12(1):17-21.