Compound Detail

CHEMBL3973007

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COc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)c(F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3973007
Phase	Preclinical
Structure Type	MOL
InChI Key	MNADUIAWZUPDHD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

516.4

MW (Da)

5.81

ALogP

HBA

HBD

71.3

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase CHEMBL2321630	IC50	8.7	7.6	2.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase	IC50	=	2.0	nM	8.7	MGAT LCMS Assay: The MGAT enzyme reactions were performed in CORNING Falcon 96-w...	-
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase	IC50	=	4.0	nM	8.4	MGAT LCMS Assay: The MGAT enzyme reactions were performed in CORNING Falcon 96-w...	-
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase	IC50	=	55.0	nM	7.26	MGAT SPA Assay: MGAT2 enzyme was assayed using membranes isolated from Sf9 cells...	-
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase	IC50	=	916.0	nM	6.04	MGAT SPA Assay: MGAT2 enzyme was assayed using membranes isolated from Sf9 cells...	-

Data from ChEMBL 36 via Core Engine