Details of the Drug

General Information of Drug (ID: DMA1MKT)

• Drug Name: uric acid
• Synonyms: urate

Indication

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

• Affected Organisms: Humans and other mammals
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 168.11
  Logarithm of the Partition Coefficient (xlogp); -1.9
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 3
• ADMET Property: Metabolism: The drug is metabolized via uricase to allantoin []
• Chemical Identifiers:
  Formula: C5H4N4O3
  IUPAC Name: 7,9-dihydro-3H-purine-2,6,8-trione
  Canonical SMILES: C12=C(NC(=O)N1)NC(=O)NC2=O
  InChI: InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
  InChIKey: LEHOTFFKMJEONL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1175
  ChEBI ID: CHEMBL17775
  CAS Number: 69-93-2
  UNII: 268B43MJ25
  DrugBank ID: DB08844
  TTD ID: D0D3CS
  VARIDT ID: DR00172
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Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Monocarboxylate transporter 9 (SLC16A9)	DTQK5O9	MOT9_HUMAN	Substrate	[2]
Urate anion exchanger 1 (SLC22A12)	DT2WLAD	S22AC_HUMAN	Substrate	[3]
Organic anion transporter 4 (SLC22A11)	DT06JWZ	S22AB_HUMAN	Substrate	[4]
Breast cancer resistance protein (ABCG2)	DTI7UX6	ABCG2_HUMAN	Substrate	[5]
Organic anion transporter 1 (SLC22A6)	DTQ23VB	S22A6_HUMAN	Substrate	[4]
Organic anion transporter 3 (SLC22A8)	DTVP67E	S22A8_HUMAN	Substrate	[4]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
5'-AMP-activated protein kinase subunit gamma-2 (PRKAG2)	OTHTAM54	AAKG2_HUMAN	Regulation of Drug Effects	[6]
Aldehyde dehydrogenase family 16 member A1 (ALDH16A1)	OT50NI6Z	A16A1_HUMAN	Regulation of Drug Effects	[7]
Aldo-keto reductase family 1 member B1 (AKR1B1)	OTRX72TH	ALDR_HUMAN	Gene/Protein Processing	[8]
Alpha-protein kinase 1 (ALPK1)	OTBW6SGD	ALPK1_HUMAN	Gene/Protein Processing	[9]
APOBEC1 complementation factor (A1CF)	OTJBKFA1	A1CF_HUMAN	Regulation of Drug Effects	[6]
Ataxin-2 (ATXN2)	OT465IGT	ATX2_HUMAN	Regulation of Drug Effects	[6]
ATP-binding cassette sub-family C member 4 (ABCC4)	OTO27PAL	MRP4_HUMAN	Regulation of Drug Effects	[10]
C-C motif chemokine 2 (CCL2)	OTAD2HEL	CCL2_HUMAN	Protein Interaction/Cellular Processes	[11]
Ceruloplasmin (CP)	OTM8JE4Y	CERU_HUMAN	Gene/Protein Processing	[12]
cGMP-dependent protein kinase 2 (PRKG2)	OTKJSIKC	KGP2_HUMAN	Gene/Protein Processing	[9]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4731).
• [2] Common missense variant of monocarboxylate transporter 9 (MCT9/SLC16A9) gene is associated with renal overload gout, but not with all gout susceptibility. Hum Cell. 2013 Dec;26(4):133-6.
• [3] Concentration-dependent mode of interaction of angiotensin II receptor blockers with uric acid transporter. J Pharmacol Exp Ther. 2007 Jan;320(1):211-7.
• [4] Involvement of uric acid transporters in alteration of serum uric acid level by angiotensin II receptor blockers. Pharm Res. 2008 Mar;25(3):639-46.
• [5] Extra-renal elimination of uric acid via intestinal efflux transporter BCRP/ABCG2. PLoS One. 2012;7(2):e30456.
• [6] Genome-wide association analyses identify 18 new loci associated with serum urate concentrations. Nat Genet. 2013 Feb;45(2):145-54. doi: 10.1038/ng.2500. Epub 2012 Dec 23.
• [7] Identification of low-frequency variants associated with gout and serum uric acid levels. Nat Genet. 2011 Oct 9;43(11):1127-30. doi: 10.1038/ng.972.
• [8] Uric acid activates aldose reductase and the polyol pathway for endogenous fructose and fat production causing development of fatty liver in rats. J Biol Chem. 2019 Mar 15;294(11):4272-4281. doi: 10.1074/jbc.RA118.006158. Epub 2019 Jan 16.
• [9] Enhanced alpha-kinase 1 accelerates multiple early nephropathies in streptozotocin-induced hyperglycemic mice. Biochim Biophys Acta. 2016 Nov;1862(11):2034-2042. doi: 10.1016/j.bbadis.2016.08.010. Epub 2016 Aug 16.
• [10] Human organic anion transporter MRP4 (ABCC4) is an efflux pump for the purine end metabolite urate with multiple allosteric substrate binding sites. Am J Physiol Renal Physiol. 2005 Feb;288(2):F327-33. doi: 10.1152/ajprenal.00133.2004. Epub 2004 Sep 28.
• [11] Ketohexokinase-dependent metabolism of fructose induces proinflammatory mediators in proximal tubular cells. J Am Soc Nephrol. 2009 Mar;20(3):545-53. doi: 10.1681/ASN.2008060576. Epub 2009 Jan 21.
• [12] Copper and zinc concentrations and the activities of ceruloplasmin and superoxide dismutase in atherosclerosis obliterans. Biol Trace Elem Res. 2000 Jan;73(1):55-65.