Details of the Drug

General Information of Drug (ID: DMLSC10)

Drug Name
5-Fluoro orotate
Synonyms
5-Fluoroorotic acid; 703-95-7; 5-Fluoroorotate; 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid; Fluoroorotic acid; Orotic acid, 5-fluoro-; 5-FOA; 5-Fluoro orotic acid; NSC 31712; ENT-26398; Ro 2-9945; 5-Fluorouracil-4-carboxylic acid; UNII-7IA9OUC93E; WR 152520; 5-Fluoroorotic acid (VAN); MLS000737636; EINECS 211-876-0; 4-Pyrimidinecarboxylic acid, 5-fluoro-1,2,3,6-tetrahydro-2,6-dioxo-; 7IA9OUC93E; AI3-26398; FOA; 5-Fluorouracil-6-carboxylic Acid; SEHFUALWMUWDKS-UHFFFAOYSA-N
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) 174.09
Logarithm of the Partition Coefficient (xlogp) -0.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C5H3FN2O4
IUPAC Name
5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Canonical SMILES
C1(=C(NC(=O)NC1=O)C(=O)O)F
InChI
InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)
InChIKey
SEHFUALWMUWDKS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
69711
ChEBI ID
CHEMBL1232805
CAS Number
703-95-7
TTD ID
D0E2WX
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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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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.