Details of the Drug

General Information of Drug (ID: DMH3R21)

• Drug Name: N-(3-acetamidophenyl)-3-chlorobenzamide
• Synonyms: N-(3-acetamidophenyl)-3-chlorobenzamide; CHEMBL1080810; N-[3-(acetylamino)phenyl]-3-chlorobenzamide; 3-chloro-N-(3-acetamidophenyl)benzamide; AC1LDLQ1; AC1Q1KO6; Cambridge id 5554516; Oprea1_130541; Oprea1_356143; MLS002699912; CHEBI:93070; ZINC29723; MolPort-001-508-240; STK036460; BDBM50312136; AKOS001296542; MCULE-8869105852; 312632-92-1; ST042764; SMR001530668; EU-0002463; AB00088853-01; SR-01000407944; SR-01000407944-1; N-{3-[(3-chlorophenyl)carbonylamino]phenyl}acetamide; Z28281866

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); 288.73
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C15H13ClN2O2
  IUPAC Name: N-(3-acetamidophenyl)-3-chlorobenzamide
  Canonical SMILES: CC(=O)NC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)Cl
  InChI: InChI=1S/C15H13ClN2O2/c1-10(19)17-13-6-3-7-14(9-13)18-15(20)11-4-2-5-12(16)8-11/h2-9H,1H3,(H,17,19)(H,18,20)
  InChIKey: XZMOBKLRYXTSSS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 669190
  ChEBI ID: CHEBI:93070
  TTD ID: D04GPT

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] Synthesis and SAR of novel, non-MPEP chemotype mGluR5 NAMs identified by functional HTS. Bioorg Med Chem Lett. 2009 Dec 1;19(23):6502-6.