Compound Detail

CHEMBL5965373

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Cc1sc(C(=O)NC2CCOCC2)cc1[C@@H]1C[C@H]1NCC1CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5965373
Phase	Preclinical
Structure Type	MOL
InChI Key	BSJRDZONHJKNSF-JKSUJKDBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

334.5

MW (Da)

2.82

ALogP

HBA

HBD

50.4

PSA (Å²)

0.84

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 7 meas. best 6.36

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.36	6.36	440.0	1
Lysine-specific histone demethylase 1A CHEMBL6136	IC50	6.36	6.36	440.0	6

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	440.0	nM	6.36	Inhibitory Activity Assay: A test compound dissolved in DMSO was added by to a r...	-
Lysine-specific histone demethylase 1A	IC50	=	440.0	nM	6.36	LSD1 Inhibitory Activity: A test compound dissolved in DMSO was added by to a re...	-
Lysine-specific histone demethylase 1A	IC50	=	440.0	nM	6.36	LSD1 Inhibitory Assay: A test compound dissolved in DMSO was added by to a react...	-
Lysine-specific histone demethylase 1A	IC50	=	440.0	nM	6.36	LSD1 Inhibitory Assay: A test compound dissolved in DMSO was added by to a react...	-
Lysine-specific histone demethylase 1A	IC50	=	440.0	nM	6.36	Inhibition Assay: A test compound dissolved in DMSO was added by to a reaction s...	-
Lysine-specific histone demethylase 1A	IC50	=	440.0	nM	6.36	Inhibition Activity Assay: LSD1: A test compound dissolved in DMSO was added by ...	-
Lysine-specific histone demethylase 1A	IC50	=	440.0	nM	6.36	Inhibitory Activity Assay: LSD1: A test compound dissolved in DMSO was added by ...	-

Data from ChEMBL 36 via Core Engine