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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1169500
CHEMBL1169500
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H15NO5

Additional synonyms for CHEMBL1169500 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1N[C@H](CO)[C@H](O)C(O)[C@H]1O
Standard InChI InChI=1S/C7H15NO5/c9-1-3-5(11)7(13)6(12)4(2-10)8-3/h3-13H,1- ...
Download InChI
Standard InChI Key CLVUFWXGNIFGNC-ZXXMMSQZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1169500

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
193.2 193.095 -3.61 2 113.18 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 6 1 6 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.43 6.86 -1.05 -1.15 0 13 0.27

Structural Alerts

There are no structural alerts for CHEMBL1169500

Compound Cross References

ChemSpider ChemSpider:CLVUFWXGNIFGNC-ZXXMMSQZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1169500



BindingDB 50369362
Nikkaji J812.423J
PubChem 6475030
PubChem: Thomson Pharma 14748558 92725040
SureChEMBL SCHEMBL1879685

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