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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL416340
CHEMBL416340
Compound Name
ChEMBL Synonyms 2'-Deoxyadenosine | dAdo | 2'Deoxyadenosine | Deoxyadenosine
Max Phase 0
Trade Names
Molecular Formula C10H13N5O3

Additional synonyms for CHEMBL416340 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ncnc2c1ncn2C3CC(O)C(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-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL416340

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 CHEMBL416340. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OLXZPDWKRNYJJZ-UHFFFAOYSA-N
PubChem SID: 26749674 SID: 26753765 SID: 398104 SID: 427201
Wikipedia Deoxyadenosine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL416340



ACToR 13276-53-4 958-09-8 3413-66-9
BindingDB 50025883
eMolecules 537473
IBM Patent System 2F6AC2867D904F40895CC321C4C5DD55
Mcule MCULE-1894091442
MolPort MolPort-003-721-497
PubChem 636
SureChEMBL SCHEMBL12222478

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