Details of the Drug

General Information of Drug (ID: DMDOHRF)

• Drug Name: 2-HYDROXY-3,5-DIIODOBENZOIC ACID
• Synonyms: 3,5-DIIODOSALICYLIC ACID; 133-91-5; 2-Hydroxy-3,5-diiodobenzoic acid; 3,5-Diiodo-2-hydroxybenzoic acid; Benzoic acid, 2-hydroxy-3,5-diiodo-; 2-Hydroxy-3,5-diiodobenzoate; 3,5-Diiodosalicylate; 2-Hydroxy-3,5-diiodobenzenecarboxylic acid; 2-HYDROXY-3,5-DIIODO-BENZOIC ACID; Salicylic acid, 3,5-diiodo-; NSC 6303; Benzoic acid, 3,5-diiodo-2-hydroxy-; UNII-1496OH15B6; 3,5-Diiodosalicylicacid; EINECS 205-124-0; BRN 2615358; AI3-33355; NSC6303; DHZVWQPHNWDCFS-UHFFFAOYSA-N; MFCD00002444; 1496OH15B6; DIU; rarechem al be 0656; ACMC-1BPSO

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); 389.91
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C7H4I2O3
  IUPAC Name: 2-hydroxy-3,5-diiodobenzoic acid
  Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)O)I)I
  InChI: InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
  InChIKey: DHZVWQPHNWDCFS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 8631
  CAS Number: 133-91-5
  DrugBank ID: DB04674
  TTD ID: D0A8MD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Endothelin A receptor (EDNRA)	TTKRD0G	EDNRA_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
Endothelin A receptor (EDNRA)	DTT	EDNRA	3.19E-05	-2.69	-1.71

References

• [1] Allosteric inhibition of endothelin ETA receptors by 3, 5-dibromosalicylic acid. Mol Pharmacol. 2000 Dec;58(6):1461-9.