Compound Detail

CHEMBL143734

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O=C(CCCCCNC(=O)c1ccc(Cl)cc1)NO

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL143734
Phase	Preclinical
Structure Type	MOL
InChI Key	YYCQNZBMCNSCKG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

284.7

MW (Da)

2.14

ALogP

HBA

HBD

78.4

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.82

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Histone deacetylase HD2 CHEMBL4919	IC50	6.82	6.82	150.0	2
Histone deacetylase CHEMBL2093865	IC50	6.43	6.43	369.0	1
Histone deacetylase CHEMBL2095943	IC50	6.43	6.43	369.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Histone deacetylase HD2	IC50	=	150.0	nM	6.82	Inhibitory concentration against maize Histone deacetylase 2	14613312
Histone deacetylase HD2	IC50	=	150.0	nM	6.82	Inhibition of maize Histone deacetylase 2 (HD-2) activity	10579829
Histone deacetylase	IC50	=	369.0	nM	6.43	Inhibitory concentration against rat liver Histone deacetylase	14613312
Histone deacetylase	IC50	=	369.0	nM	6.43	Concentration required to inhibit human Histone deacetylase (HDAC) enzyme by 50%	11831887

PubMed	DOI	Target Context	# Activities
11831887	10.1021/jm015568c	Histone deacetylase	2
14613312	10.1021/jm0303094	Histone deacetylase HD2	1
14613312	10.1021/jm0303094	Histone deacetylase	1
10579829	10.1021/jm991091h	Histone deacetylase HD2	1

Data from ChEMBL 36 via Core Engine