Compound Detail

CHEMBL510508

PHLOROFUCOFUROECKOL A

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Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc4oc5c(Oc6cc(O)cc(O)c6)c(O)cc(O)c5c4c2O3)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL510508
Name	PHLOROFUCOFUROECKOL A
Phase	Preclinical
Structure Type	MOL
InChI Key	SLWPBUMYPRVYIJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

602.5

MW (Da)

6.42

ALogP

HBA

HBD

232.1

PSA (Å²)

0.11

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 10 meas. best 6.0

Ki 2 meas. best 5.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cholinesterase CHEMBL1914	IC50	6.0	6.0	1000.0	1
Beta-secretase 1 CHEMBL4822	Ki	5.89	5.89	1300.0	1
Beta-secretase 1 CHEMBL4822	IC50	5.67	5.67	2130.0	1
Replicase polyprotein 1ab CHEMBL5118	Ki	4.97	4.97	10600.0	1
Replicase polyprotein 1ab CHEMBL5118	IC50	4.78	4.78	16700.0	1
Unchecked CHEMBL612545	IC50	4.78	4.78	16700.0	1
Radical scavenging activity CHEMBL613712	IC50	4.75	4.75	17660.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.67	4.5833	21400.0	3
Acetylcholinesterase CHEMBL220	IC50	4.03	4.03	94100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cholinesterase	IC50	=	1000.0	nM	6.0	Measurement of IC50 of Eckol Derivatives Against Acetylcholinesterase and Butyry...	-
Beta-secretase 1	Ki	=	1300.0	nM	5.89	Noncompetitive inhibition of human recombinant BACE1 after 60 mins by Dixon plot...	20462757
Beta-secretase 1	IC50	=	2130.0	nM	5.67	Inhibition of human recombinant BACE1 after 60 mins by FRET assay	20462757
Replicase polyprotein 1ab	Ki	=	10600.0	nM	4.97	Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C...	23647823
Replicase polyprotein 1ab	IC50	=	16700.0	nM	4.78	Inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protea...	23647823
Unchecked	IC50	=	16700.0	nM	4.78	Inhibition of SARS-CoV-2 3c-like protease	32810751
Radical scavenging activity	IC50	=	17660.0	nM	4.75	Antioxidant activity assessed as DPPH radical scavenging activity	19201199
NON-PROTEIN TARGET	IC50	=	21600.0	nM	4.67	Antioxidant activity assessed as superoxide radical scavenging activity	19201199
NON-PROTEIN TARGET	IC50	=	21400.0	nM	4.67	Antioxidant activity assessed as APPH generated peroxyl radical scavenging forma...	19201199
NON-PROTEIN TARGET	IC50	=	39200.0	nM	4.41	Antioxidant activity assessed as Fenton system generated hydroxyl radical scaven...	19201199
Acetylcholinesterase	IC50	=	94100.0	nM	4.03	Measurement of IC50 of Eckol Derivatives Against Acetylcholinesterase and Butyry...	-

PubMed	DOI	Target Context	# Activities
23647823	10.1016/j.bmc.2013.04.026	Replicase polyprotein 1ab	6
19201199	10.1016/j.bmc.2009.01.031	RAW264.7	4
19201199	10.1016/j.bmc.2009.01.031	NON-PROTEIN TARGET	3
20462757	10.1016/j.bmcl.2010.04.093	Beta-secretase 1	3
19443227	10.1016/j.bmc.2009.04.050	High affinity immunoglobulin epsilon receptor subunit alpha	2
19443227	10.1016/j.bmc.2009.04.050	Unchecked	2
19201199	10.1016/j.bmc.2009.01.031	Radical scavenging activity	1
19201199	10.1016/j.bmc.2009.01.031	MRC5	1
19201199	10.1016/j.bmc.2009.01.031	HL-60	1
19443227	10.1016/j.bmc.2009.04.050	ADMET	1
23647823	10.1016/j.bmc.2013.04.026	Vero	1
23647823	10.1016/j.bmc.2013.04.026	Unchecked	1
32810751	10.1016/j.ejmech.2020.112711	Unchecked	1

Data from ChEMBL 36 via Core Engine