Compound Detail

CHEMBL1950045

HYDROXYTYROSOL

🧪 Phase III

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🧪 Phase III

OCCc1ccc(O)c(O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1950045
Name	HYDROXYTYROSOL
Phase	Phase III
Structure Type	MOL
InChI Key	JUUBCHWRXWPFFH-UHFFFAOYSA-N

Known Names

Homoprotocatechuyl alcohol Hydroxytyrosol

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

154.2

MW (Da)

0.63

ALogP

HBA

HBD

60.7

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

Extended Properties

Molecular Formula	C8H10O3
MW	154.16
Aromatic Rings	1
Heavy Atoms	11
NP-Likeness	1.19

Indications

Breast Neoplasms

Activity Summary

IC50 17 meas. best 7.46

EC50 1 meas. best 4.86

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Beta-secretase 1 CHEMBL4822	IC50	7.46	7.46	35.0	1
No relevant target CHEMBL2362975	IC50	5.61	5.61	2450.0	1
Unchecked CHEMBL612545	IC50	5.12	4.5833	7500.0	3
Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215	IC50	4.89	4.89	13000.0	1
No relevant target CHEMBL2362975	EC50	4.86	4.86	13800.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.76	4.5733	17530.0	3
Platelet CHEMBL4296519	IC50	4.57	4.37	27000.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Beta-secretase 1	IC50	=	35.0	nM	7.46	Inhibition of BACE1 (unknown origin)	33984802
No relevant target	IC50	=	2450.0	nM	5.61	Antioxidant activity assessed as reduction in lipid peroxidation	32527456
Unchecked	IC50	=	7500.0	nM	5.12	Inhibition of NADPH oxidase in Homo sapiens (human) HUVEC cells	-
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	13000.0	nM	4.89	Inhibition of human recombinant 5-lipoxygenase using arachidonic acid as substra...	24568174
No relevant target	EC50	=	13800.0	nM	4.86	Antioxidant activity assessed as DPPH free radical scavenging activity incubated...	25752525
NON-PROTEIN TARGET	IC50	=	17530.0	nM	4.76	Antiviral activity against Influenza A virus (A/Vietnam/1194/2004(H5N1)) infecte...	24803363
NON-PROTEIN TARGET	IC50	=	22910.0	nM	4.64	Antiviral activity against Influenza A virus (A/Vietnam/1194/2004(H5N1)) infecte...	24803363
Platelet	IC50	=	27000.0	nM	4.57	Inhibition of ADP-induced platelet aggregation in human platelet rich plasma pre...	26225717
Unchecked	IC50	=	30710.0	nM	4.51	Inhibition of Saccharomyces cerevisiae alpha-glucosidase	32527456
NON-PROTEIN TARGET	IC50	=	47500.0	nM	4.32	Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei ...	27155468
Platelet	IC50	=	67000.0	nM	4.17	Inhibition of collagen-induced platelet aggregation in human platelet rich plasm...	26225717
Unchecked	IC50	=	75100.0	nM	4.12	Inhibition of rat intestinal sucrase	32527456

Literature References

PubMed	DOI	Target Context	# Activities
21111517	10.1016/j.ejmech.2010.10.028	HT-29	15
32527456	10.1016/j.bmcl.2020.127277	Mus musculus	10
24803363	10.1016/j.bmcl.2014.04.057	NON-PROTEIN TARGET	6
27155468	10.1016/j.ejmech.2016.04.047	NON-PROTEIN TARGET	5
18823782	10.1016/j.bmc.2008.09.012	HeLa	4
18823782	10.1016/j.bmc.2008.09.012	DG-75	4
32527456	10.1016/j.bmcl.2020.127277	No relevant target	3
24803363	10.1016/j.bmcl.2014.04.057	Unchecked	3
32527456	10.1016/j.bmcl.2020.127277	Unchecked	3
26225717	10.1021/acs.jmedchem.5b00669	Rattus norvegicus	3
18823782	10.1016/j.bmc.2008.09.012	NON-PROTEIN TARGET	2
26225717	10.1021/acs.jmedchem.5b00669	Platelet	2
24803363	10.1016/j.bmcl.2014.04.057	MDCK	2
24568174	10.1021/np401010x	Polyunsaturated fatty acid 5-lipoxygenase	2
32482069	10.1021/acs.jmedchem.9b01033	Rattus norvegicus	2
34126286	10.1016/j.bmc.2021.116249	PANC-1	2
36269877	10.1021/acs.jnatprod.2c00670	SH-SY5Y	1
18823782	10.1016/j.bmc.2008.09.012	Aspergillus niger	1
18823782	10.1016/j.bmc.2008.09.012	Candida albicans	1
18823782	10.1016/j.bmc.2008.09.012	Pseudomonas aeruginosa	1

Data from ChEMBL 36 via Core Engine