THYMIDINE

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Synonyms
Status
Molecule Category Free-form
UNII VC2W18DGKR
EPA CompTox DTXSID5023661

Structure

InChI Key IQFYYKKMVGJFEH-XLPZGREQSA-N
Smiles Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
InChI
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N2O5
Molecular Weight 242.23
AlogP -1.51
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 104.55
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 16-26 - 200 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Chlorocebus sabaeus
- 0.3-0.4 - - -
Hepatitis B virus
300 - - - 0
Human herpesvirus 1
- 16-26 - - -
Mus musculus
- - - - 98.5
herpes simplex virus
- - - 200-200 -

Related Entries

Cross References

Resources Reference
ChEBI 17748
ChEMBL CHEMBL52609
DrugBank DB04485
FDA SRS VC2W18DGKR
Human Metabolome Database HMDB0000273
Guide to Pharmacology 4718
KEGG C00214
PDB THM
PubChem 5789
SureChEMBL SCHEMBL19894
ZINC ZINC000000025672
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