Compound Detail

CHEMBL3693795

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O=C(CCCCCCNC(=O)c1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)cc1)NO

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3693795
Phase	Preclinical
Structure Type	MOL
InChI Key	RGJMAVMWJMGFHU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

482.5

MW (Da)

4.43

ALogP

HBA

HBD

98.7

PSA (Å²)

0.14

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	7.515	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	=	186.0	nM	6.73	Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c...	-
Histone deacetylase 6	IC50	=	186.0	nM	6.73	Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c...	-
Histone deacetylase 6	IC50	=	186.0	nM	6.73	Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c...	-
Histone deacetylase 6	IC50	=	186.0	nM	6.73	Enzyme Assays: Compounds for testing were diluted in DMSO to 50 fold the final c...	-

Data from ChEMBL 36 via Core Engine