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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL176303
CHEMBL176303
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H22N4O8

Additional synonyms for CHEMBL176303 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCC(NN)C(=O)O)C(=O)O
Standard InChI InChI=1S/C13H22N4O8/c1-6(18)15-9(5-10(19)20)11(21)16-7(12(22 ...
Download InChI
Standard InChI Key ZLCUYPKANSLKFM-SMOXQLQSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL176303

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
362.3 362.1438 -2.38 12 208.15 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 7 1 12 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.19 9.41 -3.63 -8.13 0 25 0.14

Structural Alerts

There are 10 structural alerts for CHEMBL176303. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZLCUYPKANSLKFM-SMOXQLQSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL176303



BindingDB 50068942
Nikkaji J1.363.921C
PubChem 10428705
PubChem: Thomson Pharma 15448175

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