Compound Detail

CHEMBL4063082

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O=C(Nc1ccc(Cl)cc1B(O)O)c1ccc(Oc2ccc(C(F)(F)F)cc2)nc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4063082
Phase	Preclinical
Structure Type	MOL
InChI Key	PDMXSCCBEBCTGX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

436.6

MW (Da)

First in Class Prodrug

Molecular Formula	C19H13BClF3N2O4
MW	436.58

IC50 3 meas. best 8.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hormone-sensitive lipase CHEMBL3590	IC50	8.7	8.7	2.0	2
Hormone-sensitive lipase CHEMBL5582	IC50	6.96	6.96	110.0	1

Parameter	Value	Units	Species
AUC	19650.0	ng.hr.mL-1	Rattus norvegicus
Cmax	7673.28	nM	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hormone-sensitive lipase	IC50	=	2.0	nM	8.7	Inhibition of recombinant human HSL expressed in baculovirus infected sf9 cells ...	28279560
Hormone-sensitive lipase	IC50	=	2.0	nM	8.7	Inhibition of recombinant human HSL expressed in baculovirus infected sf9 insect...	28756012
Hormone-sensitive lipase	IC50	=	110.0	nM	6.96	Inhibition of HSL in rat adipocytes assessed as reduction in lipolysis by measur...	28756012

PubMed	DOI	Target Context	# Activities
28756012	10.1016/j.bmc.2017.07.028	No relevant target	4
28279560	10.1016/j.bmc.2017.02.045	Rattus norvegicus	3
28279560	10.1016/j.bmc.2017.02.045	Liver	2
28756012	10.1016/j.bmc.2017.07.028	Hormone-sensitive lipase	2
28279560	10.1016/j.bmc.2017.02.045	Hormone-sensitive lipase	1

Data from ChEMBL 36 via Core Engine