Compound Detail

CHEMBL338720

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CSc1nc(-c2ccc(-c3ccccc3)cc2)nn1C(=O)N(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL338720
Phase	Preclinical
Structure Type	MOL
InChI Key	YKUXAAJJGAYTRC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

338.4

MW (Da)

3.86

ALogP

HBA

HBD

51.0

PSA (Å²)

0.68

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.58

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hormone-sensitive lipase CHEMBL5582	IC50	7.58	7.58	26.5	1
Cholinesterase CHEMBL1914	IC50	6.64	6.64	230.0	1
Acetylcholinesterase CHEMBL220	IC50	6.25	6.25	560.0	1
Hormone-sensitive lipase CHEMBL3590	IC50	5.82	5.82	1500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hormone-sensitive lipase	IC50	=	26.47	nM	7.58	Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay	18808096
Cholinesterase	IC50	=	230.0	nM	6.64	Inhibitory concentration against butyrylcholinesterase.	14711311
Acetylcholinesterase	IC50	=	560.0	nM	6.25	Inhibitory concentration against acetylcholinesterase	14711311
Hormone-sensitive lipase	IC50	=	1500.0	nM	5.82	Inhibition of hormone sensitive lipase (HSL).	14711311

PubMed	DOI	Target Context	# Activities
14711311	10.1021/jm031004s	Hormone-sensitive lipase	1
14711311	10.1021/jm031004s	Cholinesterase	1
14711311	10.1021/jm031004s	Acetylcholinesterase	1
18808096	10.1021/jm800718k	Hormone-sensitive lipase	1

Data from ChEMBL 36 via Core Engine