THYMIDINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: VC2W18DGKR

Structure
InChI Key IQFYYKKMVGJFEH-XLPZGREQSA-N
Smile 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
- 16-1800 - 27000-27000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Peritoneal Neoplasms 2 D010534 ClinicalTrials
Fallopian Tube Neoplasms 2 D005185 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 50-89-5
ChEBI 17748
ChEMBL CHEMBL52609
DrugBank DB04485
EPA CompTox DTXSID5023661
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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