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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL363559
CHEMBL363559
Compound Name DEOXYTHYMIDINE_TRIPHOSPHATE
ChEMBL Synonyms dTTP
Max Phase 0
Trade Names
Molecular Formula C10H17N2O14P3

Additional synonyms for CHEMBL363559 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)OP(=O)(O)O)O ...
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Standard InChI InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7( ...
Download InChI
Standard InChI Key NHVNXKFIZYSCEB-XLPZGREQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL363559

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
482.2 481.9893 -1.16 8 244.14 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 6 2 16 6 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.8 - -3.5 -9.51 1 29 0.24

Structural Alerts

There are 9 structural alerts for CHEMBL363559. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NHVNXKFIZYSCEB-XLPZGREQSA-N
Wikipedia Thymidine_triphosphate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL363559



ACToR 18423-43-3
BindingDB 50164648
Brenda 51601 103684 523 144064 145 18734 113351 38420
ChEBI 18077
DrugBank DB02452
eMolecules 30512722
EPA CompTox Dashboard DTXSID30189998
FDA SRS QOP4K539MU
Human Metabolome Database HMDB0001342
IBM Patent System 79EE2EF4CC4CC6AA2A814C5B42FE2442
KEGG Ligand C00459
Metabolights MTBLC18077
Nikkaji J193.870C
PDBe TTP
PubChem 64968
PubChem: Thomson Pharma 14932553 14883523
SureChEMBL SCHEMBL77831
ZINC ZINC000008215959

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