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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL449329
CHEMBL449329
Compound Name DEOXYADENOSINE
ChEMBL Synonyms 2'-Deoxyadenosine
Max Phase 0
Trade Names
Molecular Formula C10H13N5O3

Additional synonyms for CHEMBL449329 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ncnc2c1ncn2[C@H]3C[C@H](O)[C@@H](CO)O3
Standard InChI InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17) ...
Download InChI
Standard InChI Key OLXZPDWKRNYJJZ-RRKCRQDMSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL449329

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
251.3 251.1018 -0.95 2 119.31 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.79 3.82 -.2 -.2 2 18 0.63

Structural Alerts

There are 1 structural alerts for CHEMBL449329. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OLXZPDWKRNYJJZ-RRKCRQDMSA-N
PubChem SID: 26755583

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL449329



ACToR 16373-93-6 40627-14-3 663188-78-1
BindingDB 50453912
Brenda 37815 357 601
ChEBI 17256
eMolecules 496860
EPA CompTox Dashboard DTXSID10883624
FDA SRS P582C98ULC
Guide to Pharmacology 5109
Human Metabolome Database HMDB0000101
IBM Patent System 3CCDF27F06FE70574C6304920D1A82E1
KEGG Ligand C00559
Mcule MCULE-4597371003 MCULE-7977014353
Metabolights MTBLC17256
MolPort MolPort-001-792-488
Nikkaji J80.042B
PDBe 3D1
PubChem 13730
PubChem: Thomson Pharma 15465565
Recon dad_2
Rhea 17256
SureChEMBL SCHEMBL19877
ZINC ZINC000001081581

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