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

CHEMBL505732

CHLORODEOXYURIDINE
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=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL505732
Name CHLORODEOXYURIDINE
Phase Preclinical
Structure Type MOL
InChI Key NJCXGFKPQSFZIB-RRKCRQDMSA-N
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

262.6
MW (Da)
-1.17
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11ClN2O5
MW 262.65
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.86

Activity Summary

IC50 4 meas. best 4.92
EC50 1 meas. best 4.82
Ki 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thymidylate kinase
CHEMBL2361
 Ki 5.0 5.0 10000.0 1
L5178Y
CHEMBL614720
 IC50 4.92 4.675 12000.0 4
Human alphaherpesvirus 1
CHEMBL377
 EC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thymidylate kinase Ki = 10000.0 nM 5.0 Inhibition of Mycobacterium tuberculosis recombinant TMPK 18467107
L5178Y IC50 = 12000.0 nM 4.92 In vitro growth inhibition of FdUrd resistant L5178Y-Resistant murine leukemia c... 11101356
Human alphaherpesvirus 1 EC50 = 15000.0 nM 4.82 In vitro antiviral activity against Herpes simplex virus (HSV-1) was determined 11814776
L5178Y IC50 = 16000.0 nM 4.8 In vitro growth inhibition of L5178Y-Parental murine leukemia cells by incorpora... 11101356
L5178Y IC50 = 32000.0 nM 4.5 In vitro growth inhibition of L5178Y-Parental murine leukemia cells 11101356
L5178Y IC50 = 33000.0 nM 4.48 In vitro growth inhibition of L5178Y-Parental murine leukemia cells by incorpora... 11101356

Literature References

PubMed DOI Target Context # Activities
11101356 10.1021/jm000975u L5178Y 4
3027328 10.1021/jm00157a022 Human alphaherpesvirus 2 3
3027328 10.1021/jm00157a022 Human alphaherpesvirus 1 3
195058 10.1021/jm00217a026 Human alphaherpesvirus 1 2
195058 10.1021/jm00217a026 Vaccinia virus 2
11814776 10.1016/s0960-894x(01)00735-1 CCRF-CEM 2
3027328 10.1021/jm00157a022 L1210 2
3027328 10.1021/jm00157a022 Homo sapiens 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1
18467107 10.1016/j.bmc.2008.04.045 Thymidylate kinase 1
3027328 10.1021/jm00157a022 Vesicular stomatitis virus 1
3027328 10.1021/jm00157a022 Vaccinia virus 1
3027328 10.1021/jm00157a022 Raji 1
11814776 10.1016/s0960-894x(01)00735-1 Human alphaherpesvirus 3 1
11814776 10.1016/s0960-894x(01)00735-1 Human gammaherpesvirus 4 1
11814776 10.1016/s0960-894x(01)00735-1 Human betaherpesvirus 5 1
11814776 10.1016/s0960-894x(01)00735-1 Human alphaherpesvirus 2 1
11814776 10.1016/s0960-894x(01)00735-1 Human alphaherpesvirus 1 1
7401121 10.1021/jm00182a029 Unchecked 1
7401121 10.1021/jm00182a029 Thymidine phosphorylase 1

Data from ChEMBL 36 via Core Engine