Compound Detail

CHEMBL3693793

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O=C(CCCCCCNC(=O)c1ccc(N(C(=O)c2ccccn2)c2ccccc2)cc1)NO

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3693793
Phase	Preclinical
Structure Type	MOL
InChI Key	YKRWTYRJETXLTM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

460.5

MW (Da)

4.25

ALogP

HBA

HBD

111.6

PSA (Å²)

0.23

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 8.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Histone deacetylase 6 CHEMBL1865	IC50	8.3	7.735	5.0	8

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Histone deacetylase 6	IC50	=	5.0	nM	8.3	Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c...	-
Histone deacetylase 6	IC50	=	5.0	nM	8.3	Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c...	-
Histone deacetylase 6	IC50	=	5.0	nM	8.3	Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c...	-
Histone deacetylase 6	IC50	=	5.0	nM	8.3	Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c...	-
Histone deacetylase 6	IC50	=	68.0	nM	7.17	Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c...	-
Histone deacetylase 6	IC50	=	68.0	nM	7.17	Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c...	-
Histone deacetylase 6	IC50	=	68.0	nM	7.17	Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c...	-
Histone deacetylase 6	IC50	=	68.0	nM	7.17	Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c...	-

Data from ChEMBL 36 via Core Engine