Compound Detail

CHEMBL5907493

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O=C(O)c1ccnnc1NCc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5907493
Phase	Preclinical
Structure Type	MOL
InChI Key	XYQCJTIQNSFLGQ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

229.2

MW (Da)

1.79

ALogP

HBA

HBD

75.1

PSA (Å²)

0.84

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 7 meas. best 6.26

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Lysine-specific demethylase 5B CHEMBL3774295	IC50	6.26	6.26	550.0	7

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Lysine-specific demethylase 5B	IC50	=	550.0	nM	6.26	Enzymatic Assay: The ability of test compounds to inhibit the activity of Jarid1...	-
Lysine-specific demethylase 5B	IC50	=	550.0	nM	6.26	Jarid1B Assay: The ability of test compounds to inhibit the activity of Jarid1B ...	-
Lysine-specific demethylase 5B	IC50	=	550.0	nM	6.26	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET): The ability of t...	-
Lysine-specific demethylase 5B	IC50	=	550.0	nM	6.26	In Vitro Enzyme Inhibition Assay: Jarid1B: The ability of test compounds to inhi...	-
Lysine-specific demethylase 5B	IC50	=	550.0	nM	6.26	Jarid1B Assay: The ability of test compounds to inhibit the activity of Jarid1B ...	-
Lysine-specific demethylase 5B	IC50	=	550.0	nM	6.26	Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET): Jarid1B: The abi...	-
Lysine-specific demethylase 5B	IC50	=	550.0	nM	6.26	In Vitro Enzyme Inhibition Assay: Jarid1B: The ability of test compounds to inhi...	-

Data from ChEMBL 36 via Core Engine