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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL52609
CHEMBL52609
Compound Name THYMIDINE
ChEMBL Synonyms Thymidin | Thymidine | Thymidinedeoxyriboside | [3H]-Thymidine
Max Phase 0
Trade Names
Molecular Formula C10H14N2O5

Additional synonyms for CHEMBL52609 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O
Standard InChI InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-1 ...
Download InChI
Standard InChI Key IQFYYKKMVGJFEH-XLPZGREQSA-N

Sources

  • Patent Bioactivity Data
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL52609

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
242.2 242.0903 -1.24 2 99.1 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.55 - -.84 -.85 0 17 0.56

Structural Alerts

There are no structural alerts for CHEMBL52609

Compound Cross References

ChemSpider ChemSpider:IQFYYKKMVGJFEH-XLPZGREQSA-N
PubChem SID: 144205113 SID: 29215196
Wikipedia Thymidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL52609



ACToR 35902-13-7 50-88-4
BindingDB 1
Brenda 14935 166 3070 173330 63029
ChEBI 17748
DrugBank DB04485
eMolecules 28206777 532057
EPA CompTox Dashboard DTXSID5023661
FDA SRS VC2W18DGKR
Guide to Pharmacology 4718
Human Metabolome Database HMDB0000273
IBM Patent System 7A9CC20D754B2BD8A4119D1F2E7811AA
KEGG Ligand C00214
Mcule MCULE-7680226016
Metabolights MTBLC17748
MolPort MolPort-003-939-615
Nikkaji J4.548I
PDBe THM
PubChem 5789
PubChem: Thomson Pharma 15196472
Recon thymd
Rhea 17748
SureChEMBL SCHEMBL19894
ZINC ZINC000000025672

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