Compound Detail

CHEMBL464675

HEXADECYL GALLATE

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CCCCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL464675
Name	HEXADECYL GALLATE
Phase	Preclinical
Structure Type	MOL
InChI Key	TYCUSKFOGZNIBO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

394.6

MW (Da)

6.44

ALogP

HBA

HBD

87.0

PSA (Å²)

0.17

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 1 meas. best 6.23

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Squalene monooxygenase CHEMBL4241	IC50	6.23	6.23	590.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Squalene monooxygenase	IC50	=	590.0	nM	6.23	Inhibition of C-terminal hexahistidine-tagged rat recombinant squalene epoxidase...	11520216

PubMed	DOI	Target Context	# Activities
11520216	10.1021/np010100y	Squalene monooxygenase	1
19232493	10.1016/j.bmcl.2009.01.061	Trichophyton mentagrophytes	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	Nannizzia gypsea	1
19232493	10.1016/j.bmcl.2009.01.061	Trichophyton rubrum	1
19232493	10.1016/j.bmcl.2009.01.061	Epidermophyton floccosum	1

Data from ChEMBL 36 via Core Engine