Compound Detail

CHEMBL3961584

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N#CC1=C(c2ccc(Cl)cc2)CC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3961584
Phase	Preclinical
Structure Type	MOL
InChI Key	QBEMZAMNFXVLBB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

502.8

MW (Da)

6.32

ALogP

HBA

HBD

62.1

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.67

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase CHEMBL2321630	IC50	6.67	6.2633	214.0	3
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase CHEMBL2375203	IC50	6.45	6.45	353.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase	IC50	=	214.0	nM	6.67	MGAT LCMS Assay: The MGAT enzyme reactions were performed in CORNING Falcon 96-w...	-
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase	IC50	=	214.0	nM	6.67	Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-mon...	34613725
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase	IC50	=	353.0	nM	6.45	Inhibition of mouse recombinant MGAT2 expressed in Sf9 cell membrane using 2-ole...	34613725
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase	IC50	=	3519.0	nM	5.45	MGAT SPA Assay: MGAT2 enzyme was assayed using membranes isolated from Sf9 cells...	-

PubMed	DOI	Target Context	# Activities
34613725	10.1021/acs.jmedchem.1c01356	Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase	2

Data from ChEMBL 36 via Core Engine