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Compound Detail

CHEMBL363794

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Cc1cn(Cc2ccc(/C=C/C(=O)O)cc2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL363794
Phase Preclinical
Structure Type MOL
InChI Key WYCDJQHQOSRMAL-VOTSOKGWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
0.99
ALogP
4
HBA
2
HBD
92.2
PSA (Ų)
0.82
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 C15H14N2O4
MW 286.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
15801836 10.1021/jm0492296 Thymidylate kinase 1
18467107 10.1016/j.bmc.2008.04.045 Thymidylate kinase 1
18467107 10.1016/j.bmc.2008.04.045 Vero 1

Data from ChEMBL 36 via Core Engine