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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL335538
CHEMBL335538
Compound Name
ChEMBL Synonyms 2'-Deoxyadenosine 5'-Triphosphate | dATP | Deoxyadenosine 5'-Triphosphate
Max Phase 0
Trade Names
Molecular Formula C10H16N5O12P3

Additional synonyms for CHEMBL335538 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ncnc2c1ncn2[C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O ...
Download SMILES
Standard InChI InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5( ...
Download InChI
Standard InChI Key SUYVUBYJARFZHO-RRKCRQDMSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL335538

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
491.2 491.0008 -1.76 8 288.32 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
16 6 2 17 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.97 3.82 -2.77 -8.78 2 30 0.22

Structural Alerts

There are 10 structural alerts for CHEMBL335538. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SUYVUBYJARFZHO-RRKCRQDMSA-N
Wikipedia Deoxyadenosine_triphosphate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL335538



ACToR 67460-17-7
BindingDB 50118233
Brenda 2704 43122 21908 5893 16322 114594 29926 19887 140 3585
ChEBI 16284
DrugBank DB03222
eMolecules 30512965
FDA SRS K8KCC8SH6N
Guide to Pharmacology 1760
Human Metabolome Database HMDB01532
IBM Patent System 720027831F2556D43F2ED0366CE39F71
KEGG Ligand C00131
Metabolights MTBLC16284
Nikkaji J90.479A
PDBe DTP
PubChem 15993
PubChem: Thomson Pharma 15455493
SureChEMBL SCHEMBL78250
ZINC ZINC000008215662

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