Compound Detail

CHEMBL4436320

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

O=C1Nc2ccccc2C1(c1cn(Cc2ccccc2F)c2ccccc12)c1cn(Cc2ccccc2F)c2ccccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4436320
Phase	Preclinical
Structure Type	MOL
InChI Key	FUAFPHTXRSOYJN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

579.6

MW (Da)

8.26

ALogP

HBA

HBD

39.0

PSA (Å²)

0.21

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.23

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Alpha glucosidase CHEMBL3833502	IC50	5.23	5.225	5900.0	2
Alpha-glucosidase CHEMBL5291954	IC50	5.22	5.22	5980.0	1
Unchecked CHEMBL612545	IC50	5.22	5.22	5980.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Alpha glucosidase	IC50	=	5900.0	nM	5.23	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glu...	31112894
Unchecked	IC50	=	5980.0	nM	5.22	Inhibition of alpha-glucosidase (unknown origin)	32008883
Alpha glucosidase	IC50	=	5980.0	nM	5.22	Inhibition of alpha glucosidase (unknown origin) using p-nitrophenyl glucopyrano...	34192642
Alpha-glucosidase	IC50	=	5980.0	nM	5.22	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alp...	36680985

PubMed	DOI	Target Context	# Activities
31112894	10.1016/j.ejmech.2019.04.025	Alpha glucosidase	1
32008883	10.1016/j.bmc.2019.115263	Unchecked	1
34192642	10.1016/j.ejmech.2021.113665	Alpha glucosidase	1
36680985	10.1016/j.ejmech.2023.115119	Alpha-glucosidase	1

Data from ChEMBL 36 via Core Engine