Details of the Drug

General Information of Drug (ID: DM62Y1S)

• Drug Name: 3-bromo-N-(6-methylpyridin-2-yl)benzamide
• Synonyms: 3-bromo-N-(6-methylpyridin-2-yl)benzamide; CHEMBL377195; 188747-28-6; AC1LCNCE; TimTec1_002275; Oprea1_606042; CTK0A3803; DTXSID30345279; MolPort-002-316-872; BOCBDQIZNZCOPX-UHFFFAOYSA-N; HMS1540H09; ZINC138486; STK182187; BDBM50186324; AKOS000204447; MCULE-1961959863; ST031112; 3-bromo-N~1~-(6-methyl-2-pyridyl)benzamide; 3-Bromo-N-(6-methyl-pyridin-2-yl)-benzamide; 3-Bromo-N-(6-methyl-2-pyridinyl)benzamide #; Benzamide, 3-bromo-N-(6-methyl-2-pyridinyl)-; Z57716131; (3-bromophenyl)-N-(6-methyl(2-pyridyl))carboxamide

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 291.14
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C13H11BrN2O
  IUPAC Name: 3-bromo-N-(6-methylpyridin-2-yl)benzamide
  Canonical SMILES: CC1=NC(=CC=C1)NC(=O)C2=CC(=CC=C2)Br
  InChI: InChI=1S/C13H11BrN2O/c1-9-4-2-7-12(15-9)16-13(17)10-5-3-6-11(14)8-10/h2-8H,1H3,(H,15,16,17)
  InChIKey: BOCBDQIZNZCOPX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 603306
  CAS Number: 188747-28-6
  TTD ID: D0W1SX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 5 (mGluR5)	TTHS256	GRM5_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• 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] Design and synthesis of noncompetitive metabotropic glutamate receptor subtype 5 antagonists. Bioorg Med Chem Lett. 2006 Jul 1;16(13):3371-5.