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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL485652
CHEMBL485652
Compound Name STAVUDINE TRIPHOSPHATE
ChEMBL Synonyms Stavudine triphosphate
Max Phase 0
Trade Names
Molecular Formula C10H15N2O13P3

Additional synonyms for CHEMBL485652 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C=C2)C(=O ...
Download SMILES
Standard InChI InChI=1S/C10H15N2O13P3/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(23- ...
Download InChI
Standard InChI Key ODSQODTUNULBHF-JGVFFNPUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL485652

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
464.2 463.9787 -1.16 8 247.88 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
13 5 1 15 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.79 - -3.15 -9.25 0 28 0.21

Structural Alerts

There are 10 structural alerts for CHEMBL485652. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ODSQODTUNULBHF-JGVFFNPUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL485652



ACToR 26194-89-8
BindingDB 50370655
Brenda 90746 42997 17622 127799 7705 28915 71230
DrugBank DB02887
EPA CompTox Dashboard DTXSID10180822
FDA SRS 1ZP0VJ751G
IBM Patent System 26ADCB225E470CAF85F2E50FD98A80DE
Nikkaji J448.139I
PDBe D4T
PubChem 65355
PubChem: Thomson Pharma 15083322
SureChEMBL SCHEMBL987898

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