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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL259724
CHEMBL259724
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H16N2O11P2

Additional synonyms for CHEMBL259724 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)C(=O)NC ...
Download SMILES
Standard InChI InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7( ...
Download InChI
Standard InChI Key UJLXYODCHAELLY-XLPZGREQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL259724

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
402.2 402.0229 -1.28 6 197.61 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 5 0 13 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.04 - -2.54 -7.78 1 25 0.36

Structural Alerts

There are 9 structural alerts for CHEMBL259724. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UJLXYODCHAELLY-XLPZGREQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL259724



Brenda 137150 694 542 145098 58111
ChEBI 18075
DrugBank DB03103
Human Metabolome Database HMDB0001274
IBM Patent System 8F95E8470A05D32392571720DDEFE580
KEGG Ligand C00363
Metabolights MTBLC18075
Nikkaji J247.693B
PDBe TYD
PubChem 164628
PubChem: Thomson Pharma 15966308
SureChEMBL SCHEMBL154111
ZINC ZINC000008215882

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