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ChEMBL Statistics
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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
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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