Compound Detail

CHEMBL1928641

Enter ChEMBL ID:

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

O=C(OCc1cc(=O)c(O)co1)c1ccc(O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1928641
Phase	Preclinical
Structure Type	MOL
InChI Key	JLYOMEVXVQXCCQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

262.2

MW (Da)

1.41

ALogP

HBA

HBD

97.0

PSA (Å²)

0.81

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosinase CHEMBL3318	IC50	5.75	5.52	1800.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosinase	IC50	=	1800.0	nM	5.75	Inhibition of mushroom tyrosinase using L-DOPA as substrate after 20 mins by spe...	22579419
Tyrosinase	IC50	=	2800.0	nM	5.55	Inhibition of mushroom tyrosinase using L-tyrosine as substrate after 20 mins by...	22579419
Tyrosinase	IC50	=	5510.0	nM	5.26	Inhibition of mushroom tyrosinase activity using L-tyrosin as substrate after 20...	22071299

PubMed	DOI	Target Context	# Activities
22579419	10.1016/j.bmcl.2012.04.046	Tyrosinase	2
22071299	10.1016/j.bmcl.2011.09.122	Tyrosinase	1
22071299	10.1016/j.bmcl.2011.09.122	Radical scavenging activity	1
22071299	10.1016/j.bmcl.2011.09.122	Molecular identity unknown	1
22071299	10.1016/j.bmcl.2011.09.122	ADMET	1
22579419	10.1016/j.bmcl.2012.04.046	Molecular identity unknown	1
22579419	10.1016/j.bmcl.2012.04.046	ADMET	1
22579419	10.1016/j.bmcl.2012.04.046	NON-PROTEIN TARGET	1

Data from ChEMBL 36 via Core Engine