Details of the Drug

General Information of Drug (ID: DMLKWTG)

• Drug Name: Tricarballylic Acid
• Synonyms: Tricarballylic acid; 99-14-9; 1,2,3-Propanetricarboxylic acid; Propane-1,2,3-tricarboxylic acid; Carballylic acid; Tricarballylate; beta-Carboxyglutaric acid; 3-carboxyglutaric acid; 1,2,3-Propanetricarboxylicacid; NSC2347; Propane 1,2,3-tricarboxylic acid; UNII-RA5QH2J020; CHEBI:45969; Tricarballylic acid, 99%; .beta.-Carboxyglutaric acid; RA5QH2J020; KQTIIICEAUMSDG-UHFFFAOYSA-N; NSC-2347; 1,2,3-Tripropanetricarboxylic acid; TRC; NSC 2347; EINECS 202-733-3; ACMC-209sbq; AI3-52246; carboxymethylsuccinic acid; 3-carboxypentanedioic

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); 176.12
  Logarithm of the Partition Coefficient (xlogp); -1.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C6H8O6
  IUPAC Name: propane-1,2,3-tricarboxylic acid
  Canonical SMILES: C(C(CC(=O)O)C(=O)O)C(=O)O
  InChI: InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
  InChIKey: KQTIIICEAUMSDG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 14925
  ChEBI ID: CHEBI:45969
  CAS Number: 99-14-9
  DrugBank ID: DB04562
  TTD ID: D08ZAO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Citrate hydro-lyase (ACO2)	TTMTF2P	ACON_HUMAN	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.