Details of the Drug

General Information of Drug (ID: DMMB29S)

• Drug Name: Orotate
• Synonyms: 73-97-2; Orotic acidanion; AC1LSPNG; CHEBI:30839; CTK5D9013; DTXSID80363448; PXQPEWDEAKTCGB-UHFFFAOYSA-M; AG-G-93379; 2,4-dioxo-1H-pyrimidine-6-carboxylate; CJ-15820; 21317-EP2314295A1; 21317-EP2284172A1; 21317-EP2281559A1; 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate; 4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, ion(1-)

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); 155.09
  Logarithm of the Partition Coefficient (xlogp); -0.8
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C5H3N2O4-
  IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylate
  Canonical SMILES: C1=C(NC(=O)NC1=O)C(=O)[O-]
  InChI: InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)/p-1
  InChIKey: PXQPEWDEAKTCGB-UHFFFAOYSA-M
• Cross-matching ID:
  PubChem CID: 1492348
  ChEBI ID: CHEMBL30839
  CAS Number: 73-97-2
  TTD ID: D0B1TS
  VARIDT ID: DR00157
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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	[1]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Urate anion exchanger 1 (SLC22A12)	DT2WLAD	S22AC_HUMAN	Substrate	[2]

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
Urate anion exchanger 1 (SLC22A12)	DTP	URAT1	4.40E-01	-6.93E-03	-3.05E-02

References

• [1] Antimalarial activity of orotate analogs that inhibit dihydroorotase and dihydroorotate dehydrogenase. Biochem Pharmacol. 1992 Mar 17;43(6):1295-301.
• [2] Human urate transporter 1 (hURAT1) mediates the transport of orotate. J Physiol Sci. 2011 May;61(3):253-7.