Compound Detail

CHEMBL4113884

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NC1CC(N[C@H]2C[C@@H]2c2ccccc2)c2ccccc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4113884
Phase	Preclinical
Structure Type	MOL
InChI Key	ZFWZJXPRYBXQIV-ZLZJIPBDSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

264.4

MW (Da)

3.28

ALogP

HBA

HBD

38.0

PSA (Å²)

0.89

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 7.47

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Lysine-specific histone demethylase 1A CHEMBL6136	IC50	7.47	7.47	34.0	3
Amine oxidase [flavin-containing] B CHEMBL2039	IC50	4.23	4.23	59090.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Lysine-specific histone demethylase 1A	IC50	=	34.0	nM	7.47	Biological Assay: The compounds of the invention can be tested for their ability...	-
Lysine-specific histone demethylase 1A	IC50	=	34.0	nM	7.47	LSD1 Assays : Briefly, a fixed amount of LSD1 was incubated on ice for 15 minute...	-
Lysine-specific histone demethylase 1A	IC50	=	34.0	nM	7.47	Biological Assays-Inhibition of LSD1: Briefly, a fixed amount of LSD1 was incuba...	-
Amine oxidase [flavin-containing] B	IC50	=	59090.0	nM	4.23	Fluorescence-Based (Inhibitor)-Screening Assay: In order to monitor MAO enzymati...	-
Amine oxidase [flavin-containing] B	IC50	=	59090.0	nM	4.23	Fluorescence-Based (Inhibitor)-Screening Assay: In order to monitor MAO enzymati...	-
Amine oxidase [flavin-containing] B	IC50	=	59090.0	nM	4.23	Monoamine Oxidase Assays : Briefly, a fixed amount of MAO (0.25 μg for MAO-A and...	-
Amine oxidase [flavin-containing] B	IC50	=	59090.0	nM	4.23	Biological Assays-Inhibition of LSD1: Briefly, a fixed amount of LSD1 was incuba...	-

Data from ChEMBL 36 via Core Engine