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Compound Detail

CHEMBL494182

TETRADECYL GALLATE
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CCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL494182
Name TETRADECYL GALLATE
Phase Preclinical
Structure Type MOL
InChI Key BQWQGCZOPQEUIQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
5.66
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.22
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H34O5
MW 366.50
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.43

Activity Summary

IC50 2 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 5.07 5.07 8500.0 1
B16-F10
CHEMBL612656
 IC50 4.22 4.22 60000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 8500.0 nM 5.07 Cytotoxicity against mouse L1210 cells 23291333
B16-F10 IC50 = 60000.0 nM 4.22 Cytotoxicity against mouse B16F10 cells 23291333

Literature References

PubMed DOI Target Context # Activities
19232493 10.1016/j.bmcl.2009.01.061 Trichophyton rubrum 1
19232493 10.1016/j.bmcl.2009.01.061 Trichophyton mentagrophytes 1
19232493 10.1016/j.bmcl.2009.01.061 Nannizzia gypsea 1
19232493 10.1016/j.bmcl.2009.01.061 Candida albicans 1
19232493 10.1016/j.bmcl.2009.01.061 Candida tropicalis 1
19232493 10.1016/j.bmcl.2009.01.061 Saccharomyces cerevisiae 1
19232493 10.1016/j.bmcl.2009.01.061 Cryptococcus neoformans 1
19232493 10.1016/j.bmcl.2009.01.061 Aspergillus fumigatus 1
19232493 10.1016/j.bmcl.2009.01.061 Aspergillus flavus 1
19232493 10.1016/j.bmcl.2009.01.061 Aspergillus niger 1
19232493 10.1016/j.bmcl.2009.01.061 Epidermophyton floccosum 1
- 10.1584/jpestics.G10-54 Coptotermes formosanus 1
23291333 10.1016/j.ejmech.2012.10.056 CCRF-CEM 1
23291333 10.1016/j.ejmech.2012.10.056 L1210 1
23291333 10.1016/j.ejmech.2012.10.056 B16-F10 1

Data from ChEMBL 36 via Core Engine