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Compound Detail

CHEMBL499801

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COc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc1

Basic Information

ChEMBL ID CHEMBL499801
Phase Preclinical
Structure Type MOL
InChI Key LBZPKCQXIJFJKS-KRXBUXKQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
3.32
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.64
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 C17H14O4
MW 282.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
18930396 10.1016/j.bmcl.2008.09.105 Low molecular weight protein-tyrosine phosphatase A 1
23229055 10.1016/j.ejmech.2012.10.038 Xanthomonas oryzae 1
23229055 10.1016/j.ejmech.2012.10.038 Dickeya chrysanthemi 1
23229055 10.1016/j.ejmech.2012.10.038 Rhizoctonia solani 1
23229055 10.1016/j.ejmech.2012.10.038 Athelia rolfsii 1
23229055 10.1016/j.ejmech.2012.10.038 Radical scavenging activity 1
23229055 10.1016/j.ejmech.2012.10.038 Pseudomonas aeruginosa 1
23229055 10.1016/j.ejmech.2012.10.038 Staphylococcus aureus 1
23229055 10.1016/j.ejmech.2012.10.038 Klebsiella pneumoniae 1
23229055 10.1016/j.ejmech.2012.10.038 Bacillus pumilus 1
23229055 10.1016/j.ejmech.2012.10.038 Bacillus thuringiensis 1
31000155 10.1016/j.bmcl.2019.04.020 Trypanosoma cruzi 1
31000155 10.1016/j.bmcl.2019.04.020 L929 1
31000155 10.1016/j.bmcl.2019.04.020 Unchecked 1

Data from ChEMBL 36 via Core Engine