Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL353955

DEOXYURIDINE
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL353955
Name DEOXYURIDINE
Phase Preclinical
Structure Type MOL
InChI Key MXHRCPNRJAMMIM-SHYZEUOFSA-N
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

228.2
MW (Da)
-1.82
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H12N2O5
MW 228.20
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 1.25

Activity Summary

Ki 6 meas. best 5.02
IC50 1 meas. best 8.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vero
CHEMBL391
 IC50 8.66 8.66 2.2 1
Unchecked
CHEMBL612545
 Ki 5.02 5.02 9500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vero IC50 = 2.2 nM 8.66 Anti-Herpes simplex virus type-1 activity in vero cells using plaque inhibition ... 10464017
Unchecked Ki = 9500.0 nM 5.02 Competitive inhibition of HSV-1 pyrimidine deoxythymidine kinase using 2-[14C]de... 214555

Literature References

PubMed DOI Target Context # Activities
20863701 10.1016/j.bmcl.2010.08.120 Hepatitis B virus 2
458818 10.1021/jm00192a005 Thymidine kinase, cytosolic 2
1331461 10.1021/jm00100a029 Thymidine kinase, cytosolic 2
6644738 10.1021/jm00366a006 Thymidine kinase, cytosolic 2
6644738 10.1021/jm00366a006 Deoxycytidine kinase 2
18272369 10.1016/j.bmc.2008.01.038 Thymidine phosphorylase 2
10464024 10.1021/jm990125i Thymidine kinase, cytosolic 2
7877148 10.1021/jm00005a010 Mus musculus 1
15497946 10.1021/np049849+ A2780 1
15497946 10.1021/np049849+ M-phase inducer phosphatase 2 1
30929953 10.1016/j.bmcl.2019.03.022 Bifunctional dihydrofolate reductase-thymidylate synthase 1
15582414 10.1016/j.bmcl.2004.10.039 HeLa 1
2951522 10.1021/jm00387a015 Mus musculus 1
2524593 10.1021/jm00126a024 Mus musculus 1
10464017 10.1021/jm981132u Vero 1
8632406 10.1021/jm9408326 Mus musculus 1
2299637 10.1021/jm00164a039 Unchecked 1
7097717 10.1021/jm00348a007 Thymidine kinase, cytosolic 1
7097717 10.1021/jm00348a007 Thymidine kinase 2 1
7401121 10.1021/jm00182a029 Unchecked 1

Data from ChEMBL 36 via Core Engine