Compound Detail

CHEMBL5946126

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O=C(O)c1ccc(CN[C@@H]2C[C@H]2c2cc(C(=O)NC3CCC(F)(F)CC3)cs2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5946126
Phase	Preclinical
Structure Type	MOL
InChI Key	QNLZWKINXZRBTP-QZTJIDSGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

434.5

MW (Da)

4.40

ALogP

HBA

HBD

78.4

PSA (Å²)

0.60

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 7 meas. best 4.31

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Amine oxidase [flavin-containing] A CHEMBL1951	IC50	4.31	4.31	49000.0	7

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Amine oxidase [flavin-containing] A	IC50	=	49000.0	nM	4.31	Inhibitory Activity Assay: The MAO-A inhibitory activity evaluation described be...	-
Amine oxidase [flavin-containing] A	IC50	=	49000.0	nM	4.31	MAO-A Inhibitory Activity: The MAO-A inhibitory activity evaluation described be...	-
Amine oxidase [flavin-containing] A	IC50	=	49000.0	nM	4.31	MAO-A Inhibitory Assay: The MAO-A inhibitory activity evaluation described below...	-
Amine oxidase [flavin-containing] A	IC50	=	49000.0	nM	4.31	MAO-A Inhibitory Assay: A test compound dissolved in DMSO was added to a reactio...	-
Amine oxidase [flavin-containing] A	IC50	=	49000.0	nM	4.31	Inhibition Assay: A test compound dissolved in DMSO was added to a reaction solu...	-
Amine oxidase [flavin-containing] A	IC50	=	49000.0	nM	4.31	Inhibition Activity Assay: MAO-A: The MAO-A inhibitory activity evaluation descr...	-
Amine oxidase [flavin-containing] A	IC50	=	49000.0	nM	4.31	Inhibitory Activity Assay: The MAO-A inhibitory activity evaluation described be...	-

Data from ChEMBL 36 via Core Engine