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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2115215
CHEMBL2115215
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H15NO5

Additional synonyms for CHEMBL2115215 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@@H]1N[C@H](CO)[C@@H](O)[C@H](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-BIVRFLNRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2115215

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 CHEMBL2115215

Compound Cross References

ChemSpider ChemSpider:CLVUFWXGNIFGNC-BIVRFLNRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2115215



BindingDB 50408432
Nikkaji J811.454D
PubChem: Thomson Pharma 16947671
SureChEMBL SCHEMBL7811568

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