Details of the Drug

General Information of Drug (ID: DMJVNQB)

• Drug Name: (-)-hydroxycitrate
• Synonyms: Garcinia acid; 3-c-carboxy-2-deoxy-d-erythro-pentaric acid; CHEMBL118715; UNII-8W94T9026R; (1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylic acid; 8W94T9026R; Super CitriMax HCA 600SXS; 4373-35-7; (-)-Hydroxycitrate; 27750-10-3; 7A3; Citric acid, 2-hydroxy-, (-)-; AC1Q5QYE; AC1L4H7S; (2S,3S)-3-Carboxy-2,3-dihydroxy-pentanedioic acid; SCHEMBL6773065; DTXSID20276669; ZINC1656422; BDBM50036210; LMFA01050511; AJ-28889; D-erythro-Pentaric acid,

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 208.12
  Logarithm of the Partition Coefficient (xlogp); -2.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C6H8O8
  IUPAC Name: (1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylic acid
  Canonical SMILES: C(C(=O)O)[C@]([C@@H](C(=O)O)O)(C(=O)O)O
  InChI: InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)/t3-,6+/m1/s1
  InChIKey: ZMJBYMUCKBYSCP-CVYQJGLWSA-N
• Cross-matching ID:
  PubChem CID: 185620
  ChEBI ID: CHEBI:165420
  CAS Number: 27750-10-3
  TTD ID: D0IC1N

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
ATP-citrate synthase (ACLY)	TT0Z6Y2	ACLY_HUMAN	Inhibitor	[1]

References

• [1] 2-hydroxy-N-arylbenzenesulfonamides as ATP-citrate lyase inhibitors. Bioorg Med Chem Lett. 2007 Jun 1;17(11):3208-11.