Details of the Drug

General Information of Drug (ID: DMJSLVT)

• Drug Name: 3-Iodyl-benzoic acid
• Synonyms: 3-Iodyl-benzoic acid; 3-iodylbenzoic Acid; CHEMBL332161; 64297-65-0; m-iodoxybenzoic acid; AC1MTEHD; Benzoic acid, 3-iodyl-; SCHEMBL752292; CTK2A6346; DTXSID40393544

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); 280.02
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C7H5IO4
  IUPAC Name: 3-iodylbenzoic acid
  Canonical SMILES: C1=CC(=CC(=C1)I(=O)=O)C(=O)O
  InChI: InChI=1S/C7H5IO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
  InChIKey: PXGYMLKSIXWMJW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3549290
  CAS Number: 64297-65-0
  TTD ID: D0U2WU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
PTPN1 messenger RNA (PTPN1 mRNA)	TTELIN2	PTN1_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
PTPN1 messenger RNA (PTPN1 mRNA)	DTT	PTPN1	9.44E-01	7.21E-03	0.08

References

• [1] Periodinates: a new class of protein tyrosine phosphatase inhibitors. Bioorg Med Chem Lett. 1999 Feb 8;9(3):353-6.