Compound Detail

CHEMBL185013

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O=C(CCCCCC(=O)Nc1ccccc1)NO

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL185013
Phase	Preclinical
Structure Type	MOL
InChI Key	XCELUDLGZVVNON-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

250.3

MW (Da)

2.08

ALogP

HBA

HBD

78.4

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 12 meas. best 8.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Histone deacetylase 6 CHEMBL1865	IC50	8.92	8.92	1.2	3
Histone deacetylase 1 CHEMBL325	IC50	8.3	8.3	5.0	3
Histone deacetylase 8 CHEMBL3192	IC50	6.26	6.26	546.0	1
Histone deacetylase 7 CHEMBL2716	IC50	5.8	5.8	1600.0	1
Histone deacetylase 5 CHEMBL2563	IC50	5.77	5.77	1700.0	1
Histone deacetylase 4 CHEMBL3524	IC50	5.54	5.54	2900.0	1
Histone deacetylase 9 CHEMBL4145	IC50	5.42	5.42	3800.0	1
Histone deacetylase 11 CHEMBL3310	IC50	5.0	5.0	10000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Histone deacetylase 6	IC50	=	1.2	nM	8.92	Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp...	-
Histone deacetylase 6	IC50	=	1.2	nM	8.92	HDAC Inhibition Assays: HDAC inhibition assays were performed by Reaction Biolog...	-
Histone deacetylase 6	IC50	=	1.2	nM	8.92	Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp...	-
Histone deacetylase 1	IC50	=	5.0	nM	8.3	Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp...	-
Histone deacetylase 1	IC50	=	5.0	nM	8.3	HDAC Inhibition Assays: HDAC inhibition assays were performed by Reaction Biolog...	-
Histone deacetylase 1	IC50	=	5.0	nM	8.3	Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp...	-
Histone deacetylase 8	IC50	=	546.0	nM	6.26	IC50 Assay: IC50 measurements were conducted by BPS Biosciences (Table 1) or by ...	-
Histone deacetylase 7	IC50	=	1600.0	nM	5.8	IC50 Assay: IC50 measurements were conducted by BPS Biosciences (Table 1) or by ...	-
Histone deacetylase 5	IC50	=	1700.0	nM	5.77	IC50 Assay: IC50 measurements were conducted by BPS Biosciences (Table 1) or by ...	-
Histone deacetylase 4	IC50	=	2900.0	nM	5.54	IC50 Assay: IC50 measurements were conducted by BPS Biosciences (Table 1) or by ...	-
Histone deacetylase 9	IC50	=	3800.0	nM	5.42	IC50 Assay: IC50 measurements were conducted by BPS Biosciences (Table 1) or by ...	-
Histone deacetylase 11	IC50	=	10000.0	nM	5.0	IC50 Assay: IC50 measurements were conducted by BPS Biosciences (Table 1) or by ...	-

Data from ChEMBL 36 via Core Engine