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
Structure
3D MOL 2D MOL
#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
UNII
4LPL64ZNA5
DrugBank ID
DB02129
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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.