Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL16101

DECYL GALLATE
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16101
Name DECYL GALLATE
Phase Preclinical
Structure Type MOL
InChI Key AOTRKUOCGUXQCY-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
4.10
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H26O5
MW 310.39
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.50

Activity Summary

IC50 3 meas. best 5.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CCRF-CEM
CHEMBL382
 IC50 5.01 5.01 9800.0 1
L1210
CHEMBL386
 IC50 4.91 4.91 12200.0 1
B16-F10
CHEMBL612656
 IC50 4.09 4.09 82000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CCRF-CEM IC50 = 9800.0 nM 5.01 Cytotoxicity against human CEM cells 23291333
L1210 IC50 = 12200.0 nM 4.91 Cytotoxicity against mouse L1210 cells 23291333
B16-F10 IC50 = 82000.0 nM 4.09 Cytotoxicity against mouse B16F10 cells 23291333

Literature References

PubMed DOI Target Context # Activities
12083872 10.1021/jf020088v Saccharomyces cerevisiae 2
- 10.1584/jpestics.G10-54 Coptotermes formosanus 2
11755333 10.1016/s0960-894x(01)00663-1 Staphylococcus aureus 2
19232493 10.1016/j.bmcl.2009.01.061 Saccharomyces cerevisiae 1
23291333 10.1016/j.ejmech.2012.10.056 B16-F10 1
23291333 10.1016/j.ejmech.2012.10.056 L1210 1
23291333 10.1016/j.ejmech.2012.10.056 CCRF-CEM 1
19232493 10.1016/j.bmcl.2009.01.061 Aspergillus niger 1
19232493 10.1016/j.bmcl.2009.01.061 Aspergillus flavus 1
19232493 10.1016/j.bmcl.2009.01.061 Aspergillus fumigatus 1
19232493 10.1016/j.bmcl.2009.01.061 Candida tropicalis 1
19232493 10.1016/j.bmcl.2009.01.061 Candida albicans 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 Cryptococcus neoformans 1
19232493 10.1016/j.bmcl.2009.01.061 Epidermophyton floccosum 1
19232493 10.1016/j.bmcl.2009.01.061 Trichophyton rubrum 1

Data from ChEMBL 36 via Core Engine