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
Structure
3D MOL 2D MOL
#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
CHEBI:30839
CAS Number
73-97-2
TTD ID
D0B1TS
VARIDT ID
DR00157

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.