Compound Detail

CHEMBL336524

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CCSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL336524
Phase	Preclinical
Structure Type	MOL
InChI Key	HELKFUZDNOHCMJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

310.8

MW (Da)

3.24

ALogP

HBA

HBD

51.0

PSA (Å²)

0.82

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.43

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hormone-sensitive lipase CHEMBL5582	IC50	8.43	8.43	3.7	1
Cholinesterase CHEMBL1914	IC50	7.3	7.3	50.0	1
Acetylcholinesterase CHEMBL220	IC50	7.25	7.25	56.0	1
Hormone-sensitive lipase CHEMBL3590	IC50	6.68	6.68	210.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hormone-sensitive lipase	IC50	=	3.71	nM	8.43	Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay	18808096
Cholinesterase	IC50	=	50.0	nM	7.3	Inhibitory concentration against butyrylcholinesterase.	14711311
Acetylcholinesterase	IC50	=	56.0	nM	7.25	Inhibitory concentration against acetylcholinesterase	14711311
Hormone-sensitive lipase	IC50	=	210.0	nM	6.68	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