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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL106175
CHEMBL106175
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H14N2O6

Additional synonyms for CHEMBL106175 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O
Standard InChI InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5( ...
Download InChI
Standard InChI Key DWRXFEITVBNRMK-JXOAFFINSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL106175

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
258.2 258.0852 -2.54 2 124.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.55 - -1.17 -1.17 1 18 0.46

Structural Alerts

There are no structural alerts for CHEMBL106175

Compound Cross References

ChemSpider ChemSpider:DWRXFEITVBNRMK-JXOAFFINSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL106175



ACToR 1463-10-1
Brenda 3184 178324 10888 97363 18673 11161 47699
ChEBI 45996
ChemicalBook CB1322473
eMolecules 518475
EPA CompTox Dashboard DTXSID20163348
FDA SRS ZS1409014A
Human Metabolome Database HMDB0000884
IBM Patent System D39411D54022A2DC313E0A700E338EB0
Metabolights MTBLC45996
MolPort MolPort-003-901-031
Nikkaji J32.354C
PDBe 38T
PubChem 445408
PubChem: Thomson Pharma 15540847 14798888
SureChEMBL SCHEMBL29298
ZINC ZINC000002583634

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