Details of the Drug

General Information of Drug (ID: DMKFGDI)

• Drug Name: 3-(1H-pyrazol-3-yl)benzoic acid
• Synonyms: 3-(1H-pyrazol-5-yl)benzoic acid; 850375-11-0; 3-(1H-pyrazol-3-yl)benzoic acid; 3-(2H-pyrazol-3-yl)benzoic Acid; Benzoic acid, 3-(1H-pyrazol-3-yl)-; CHEMBL497801; 5-(3-Carboxyphenyl)-1H-pyrazole; PubChem22748; AC1MDTM0; buttpark 44\01-87; 3-pyrazol-5-ylbenzoic acid; 3-pyrazol-3-ylbenzoic acid; SCHEMBL939810; CTK5F3854; CTK7I8615; DTXSID80383762; MolPort-000-142-934; RXZRBZWATRFHCS-UHFFFAOYSA-N; MolPort-009-196-824; 3-(2h-pyrazol-3-yl)-benzoicacid; KS-00002A0D; ZX-AT019147; ZINC4200665; 3-(1H-Pyrazole-3-yl)benzoic acid

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); 188.18
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H8N2O2
  IUPAC Name: 3-(1H-pyrazol-5-yl)benzoic acid
  Canonical SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC=NN2
  InChI: InChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)(H,13,14)
  InChIKey: RXZRBZWATRFHCS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2795542
  CAS Number: 850375-11-0
  TTD ID: D0TX9P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MIF messenger RNA (MIF mRNA)	TT6804T	MIF_HUMAN	Inhibitor	[1]

References

• [1] Discovery of human macrophage migration inhibitory factor (MIF)-CD74 antagonists via virtual screening. J Med Chem. 2009 Jan 22;52(2):416-24.