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Compound Detail

CHEMBL3143225

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O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3143225
Phase Preclinical
Structure Type MOL
InChI Key GLRAEFXZTFJYRZ-YNEHKIRRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
-0.16
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.73
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 C15H16N2O5
MW 304.30
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.71

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
8941385 10.1021/jm960278v Thymidine kinase 1

Data from ChEMBL 36 via Core Engine