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Compound Detail

CHEMBL222242

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Cc1cn([C@@H]2O[C@H](CO)[C@@H](CN)[C@H]2Cl)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222242
Phase Preclinical
Structure Type MOL
InChI Key WIWKWCBEQQDQDJ-FDDDBJFASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.7
MW (Da)
-1.08
ALogP
6
HBA
3
HBD
110.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16ClN3O4
MW 289.72
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.93

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
15566289 10.1021/jm040847w Thymidylate kinase 2
15566289 10.1021/jm040847w Unchecked 1

Data from ChEMBL 36 via Core Engine