Details of the Drug

General Information of Drug (ID: DMNCWXZ)

• Drug Name: 1,3,5-BENZENETRICARBOXYLIC ACID
• Synonyms: Trimesic acid; 554-95-0; 1,3,5-BENZENETRICARBOXYLIC ACID; benzene-1,3,5-tricarboxylic acid; Trimesinic acid; Trimesitinic acid; 5-Carboxyisophthalic acid; 1,3,5-Benzene tricarboxylic acid; 1,3,5-Tricarboxybenzene; UNII-OU36OO5MTN; NSC 3998; EINECS 209-077-7; OU36OO5MTN; CHEMBL77562; AI3-06468; CHEBI:46032; QMKYBPDZANOJGF-UHFFFAOYSA-N; MFCD00002517; Trimesicacid; 1,3,5-Benzenetricarboxylic acid, 98%; 1.3.5-Benzenetricarboxylic Acid; H3BTCt; Trimesic acid, 95%; 1,5-Tricarboxybenzene; PubChem18615; H3TMA; AC1Q1GOL; DSSTox_CID_1488

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); 210.14
  Logarithm of the Partition Coefficient (xlogp); 0.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C9H6O6
  IUPAC Name: benzene-1,3,5-tricarboxylic acid
  Canonical SMILES: C1=C(C=C(C=C1C(=O)O)C(=O)O)C(=O)O
  InChI: InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
  InChIKey: QMKYBPDZANOJGF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11138
  ChEBI ID: CHEBI:46032
  CAS Number: 554-95-0
  DrugBank ID: DB08632
  TTD ID: D0F2WQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hemoglobin (HB)	TTQO71U	HBA_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.