Compound Detail

CHEMBL383563

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Nc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL383563
Phase	Preclinical
Structure Type	MOL
InChI Key	GJKSOGFGWQZGRL-XCVCLJGOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

239.3

MW (Da)

2.87

ALogP

HBA

HBD

63.3

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.08

Ki 1 meas. best 5.41

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosinase CHEMBL3318	Ki	5.41	5.41	3900.0	1
Tyrosinase CHEMBL3318	IC50	5.08	5.08	8300.0	1
B16 CHEMBL381	IC50	4.55	4.55	28100.0	1
Unchecked CHEMBL612545	IC50	4.39	4.39	41000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosinase	Ki	=	3900.0	nM	5.41	Competitive inhibition of monophenolase activity of mushroom tyrosinase using as...	20149498
Tyrosinase	IC50	=	8300.0	nM	5.08	Inhibition of monophenolase activity of mushroom tyrosinase using as L-tyrosine ...	20149498
B16	IC50	=	28100.0	nM	4.55	Inhibition of alpha-MSH-induced melanin production in mouse B16 cells after 48 h...	20149498
Unchecked	IC50	=	41000.0	nM	4.39	Inhibitory activity against baker's yeast alpha glucosidase	16202584

PubMed	DOI	Target Context	# Activities
20149498	10.1016/j.ejmech.2010.01.049	Tyrosinase	2
20149498	10.1016/j.ejmech.2010.01.049	B16	2
16202584	10.1016/j.bmcl.2005.08.087	Unchecked	1
16202584	10.1016/j.bmcl.2005.08.087	Alpha-amylase	1
16202584	10.1016/j.bmcl.2005.08.087	Beta-amylase	1
35278752	10.1016/j.ejmech.2022.114244	Toxoplasma gondii	1

Data from ChEMBL 36 via Core Engine