Details of the Drug

General Information of Drug (ID: DM76BGZ)

• Drug Name: Dihydroorotate
• Synonyms: Dihydroorotic acid; hydroorotic acid; 4,5-dihydroorotic acid; DL-Dihydroorotic acid; 155-54-4; 5,6-dihydroorotate; dihydroorotate; 2,6-dioxohexahydropyrimidine-4-carboxylic acid; 2,6-dioxo-1,3-diazinane-4-carboxylic acid; hexahydro-2,6-dioxo-4-Pyrimidinecarboxylic acid; 6202/10/4; CHEBI:30865; L-Hydroorotic acid; 4,5-dihydroorotate; 2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid; Orotic acid, 4,5-dihydro-; L-hydroorotate; R,S-Hydroorotate; 2,6-dioxohexahydro-4-pyrimidincarbons; DL-dihydroortotic acid; AC1Q6GGT; Dihydroorotic Acid

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); 157.1
  Logarithm of the Partition Coefficient (xlogp); -0.9
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C5H5N2O4-
  IUPAC Name: 2,6-dioxo-1,3-diazinane-4-carboxylate
  Canonical SMILES: C1C(NC(=O)NC1=O)C(=O)[O-]
  InChI: InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)/p-1
  InChIKey: UFIVEPVSAGBUSI-UHFFFAOYSA-M
• Cross-matching ID:
  PubChem CID: 5461056
  ChEBI ID: CHEBI:30867
  TTD ID: D0AZ4T

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasmodium Dihydroorotase (Malaria dho)	TT09NOX	A9CSR1_PLAFA	Inhibitor	[1]
Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase)	TT3PQ2Y	PYRD_PLAF7	Inhibitor	[2]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] Structure-activity relationships of pyrimidines as dihydroorotate dehydrogenase inhibitors. Biochem Pharmacol. 1988 Oct 15;37(20):3807-16.