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Compound Detail

CHEMBL596002

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C[C@@H](O)c1cc2c(o1)C(=O)c1c(O)cccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL596002
Phase Preclinical
Structure Type MOL
InChI Key CKCXAMWUYPZVFL-ZCFIWIBFSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

258.2
MW (Da)
1.81
ALogP
5
HBA
2
HBD
87.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H10O5
MW 258.23
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 1.74

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19674905 10.1016/j.bmc.2009.07.039 Unchecked 5
19674905 10.1016/j.bmc.2009.07.039 Bacillus subtilis 1
19674905 10.1016/j.bmc.2009.07.039 Bacillus mycoides 1
19674905 10.1016/j.bmc.2009.07.039 Naganishia albida 1
19674905 10.1016/j.bmc.2009.07.039 Saccharomyces cerevisiae 1
19674905 10.1016/j.bmc.2009.07.039 Staphylococcus aureus 1
19674905 10.1016/j.bmc.2009.07.039 Candida albicans 1
19674905 10.1016/j.bmc.2009.07.039 Aspergillus fumigatus 1
19674905 10.1016/j.bmc.2009.07.039 Penicillium expansum 1
19674905 10.1016/j.bmc.2009.07.039 Paecilomyces variotii 1
19674905 10.1016/j.bmc.2009.07.039 Escherichia coli 1
19674905 10.1016/j.bmc.2009.07.039 Pseudomonas aeruginosa 1
19674905 10.1016/j.bmc.2009.07.039 Salmonella enteritidis 1
19674905 10.1016/j.bmc.2009.07.039 Raji 1

Data from ChEMBL 36 via Core Engine