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Compound Detail

CHEMBL595214

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CC12C=CC(=O)C=C1c1cccc(O)c1C(=O)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL595214
Phase Preclinical
Structure Type MOL
InChI Key WCRSMBSXRSUZEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

242.2
MW (Da)
1.84
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10O4
MW 242.23
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.93

Literature References

PubMed DOI Target Context # Activities
19767211 10.1016/j.bmc.2009.08.051 Unchecked 1
19767211 10.1016/j.bmc.2009.08.051 DNA polymerase beta 1

Data from ChEMBL 36 via Core Engine