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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL75782
CHEMBL75782
Compound Name DIHYDROOROTATE
ChEMBL Synonyms Dihydroorotate
Max Phase 0
Trade Names
Molecular Formula C5H6N2O4

Additional synonyms for CHEMBL75782 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C1CC(=O)NC(=O)N1
Standard InChI InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10 ...
Download InChI
Standard InChI Key UFIVEPVSAGBUSI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL75782

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
158.1 158.0328 -1.3 1 95.5 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.82 - -1.59 -5.23 0 11 0.44

Structural Alerts

There are no structural alerts for CHEMBL75782

Compound Cross References

ChemSpider ChemSpider:UFIVEPVSAGBUSI-UHFFFAOYSA-N
Wikipedia 4,5-Dihydroorotic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL75782



ACToR 155-54-4
Brenda 908 105929
ChEBI 30865
eMolecules 537569
Human Metabolome Database HMDB0000528
IBM Patent System 0559C1D9BDF75E4EC4E8DF0243975ABF
Mcule MCULE-8091289320
MolPort MolPort-003-922-613
Nikkaji J9.742J
PubChem 648
PubChem: Thomson Pharma 15243204
SureChEMBL SCHEMBL121953

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UFIVEPVSAGBUSI-UHFFFAOYSA-N spacer
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