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Compound Detail

CHEMBL124814

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Cc1cn([C@H]2C[C@H](CCO)[C@@H](CO)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL124814
Phase Preclinical
Structure Type MOL
InChI Key PCEXIFQLIIHTLM-IVZWLZJFSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
-0.88
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18N2O5
MW 270.29
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.92

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
12930144 10.1021/jm021108n Thymidylate kinase 1
12930144 10.1021/jm021108n Thymidine kinase, cytosolic 1
12930144 10.1021/jm021108n Unchecked 1

Data from ChEMBL 36 via Core Engine