Compound Detail

CHEMBL3745886

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CC(C)=CCC/C(C)=C/Cc1c(O)ccc(C2COc3cc(O)cc(O)c3C2=O)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3745886
Phase	Preclinical
Structure Type	MOL
InChI Key	APRUHIYSPZMKAG-VIZOYTHASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

424.5

MW (Da)

5.10

ALogP

HBA

HBD

107.2

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 3 meas. best 5.54

Ki 3 meas. best 6.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosinase CHEMBL3318	Ki	6.82	5.5633	151.3	3
Tyrosinase CHEMBL3318	IC50	5.54	5.54	2900.0	1
B16 CHEMBL381	IC50	4.37	4.37	42300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosinase	Ki	=	151.3	nM	6.82	Time dependent inhibition of monophenolase activity of mushroom tyrosinase using...	26706112
Tyrosinase	Ki	=	1800.0	nM	5.75	Competitive inhibition of monophenolase activity of mushroom tyrosinase using L-...	26706112
Tyrosinase	IC50	=	2900.0	nM	5.54	Inhibition of monophenolase activity of mushroom tyrosinase using L-tyrosine as ...	26706112
B16	IC50	=	42300.0	nM	4.37	Inhibition of alpha-MSH-stimulated melanin production in mouse B16 cells after 7...	26706112
Tyrosinase	Ki	=	76400.0	nM	4.12	Competitive inhibition of diphenolase activity of mushroom tyrosinase using L-DO...	26706112

PubMed	DOI	Target Context	# Activities
26706112	10.1016/j.bmc.2015.11.040	Tyrosinase	9
26706112	10.1016/j.bmc.2015.11.040	B16	2

Data from ChEMBL 36 via Core Engine