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Compound Detail

CHEMBL277156

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CCCCCC/C=C/CCCCCCCc1cccc(O)c1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL277156
Phase Preclinical
Structure Type MOL
InChI Key YXHVCZZLWZYHSA-BQYQJAHWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
6.50
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H34O3
MW 346.51
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 0.93

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17601740 10.1016/j.bmc.2007.06.022 Staphylococcus aureus 1
17601740 10.1016/j.bmc.2007.06.022 Escherichia coli 1
19254846 10.1016/j.bmc.2009.01.079 Glyceraldehyde-3-phosphate dehydrogenase, glycosomal 1
38845361 10.1021/acs.jmedchem.4c00320 Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI 1

Data from ChEMBL 36 via Core Engine