Compound Detail

CHEMBL6060068

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Cc1sc(C(=O)NC2CCOCC2)cc1[C@@H]1C[C@H]1NCC1CCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL6060068
Phase	Preclinical
Structure Type	MOL
InChI Key	AFTHTSRAIUOIGF-DLBZAZTESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

348.5

MW (Da)

3.21

ALogP

HBA

HBD

50.4

PSA (Å²)

0.83

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 7 meas. best 6.77

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.77	6.77	170.0	1
Lysine-specific histone demethylase 1A CHEMBL6136	IC50	6.77	6.77	170.0	6

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	170.0	nM	6.77	Inhibitory Activity Assay: A test compound dissolved in DMSO was added by to a r...	-
Lysine-specific histone demethylase 1A	IC50	=	170.0	nM	6.77	LSD1 Inhibitory Activity: A test compound dissolved in DMSO was added by to a re...	-
Lysine-specific histone demethylase 1A	IC50	=	170.0	nM	6.77	LSD1 Inhibitory Assay: A test compound dissolved in DMSO was added by to a react...	-
Lysine-specific histone demethylase 1A	IC50	=	170.0	nM	6.77	LSD1 Inhibitory Assay: A test compound dissolved in DMSO was added by to a react...	-
Lysine-specific histone demethylase 1A	IC50	=	170.0	nM	6.77	Inhibition Assay: A test compound dissolved in DMSO was added by to a reaction s...	-
Lysine-specific histone demethylase 1A	IC50	=	170.0	nM	6.77	Inhibition Activity Assay: LSD1: A test compound dissolved in DMSO was added by ...	-
Lysine-specific histone demethylase 1A	IC50	=	170.0	nM	6.77	Inhibitory Activity Assay: LSD1: A test compound dissolved in DMSO was added by ...	-

Data from ChEMBL 36 via Core Engine