Compound Detail

CHEMBL4528769

Enter ChEMBL ID:

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

Oc1ccc(Br)cc1-c1nc2cc(Cl)ccc2s1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4528769
Phase	Preclinical
Structure Type	MOL
InChI Key	RBCCZCFDFKWHJT-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

340.6

MW (Da)

5.08

ALogP

HBA

HBD

33.1

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 4.66

Ki 1 meas. best 4.79

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Alpha-glucosidase CHEMBL5291954	Ki	4.79	4.79	16030.0	1
Alpha glucosidase CHEMBL3833502	IC50	4.66	4.66	22000.0	1
Alpha-glucosidase CHEMBL5291954	IC50	4.66	4.66	22100.0	1
Unchecked CHEMBL612545	IC50	4.66	4.66	22100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Alpha-glucosidase	Ki	=	16030.0	nM	4.79	Non-competitive inhibition of Saccharomyces cerevisiae alpha-glucosidase using p...	36680985
Alpha glucosidase	IC50	=	22000.0	nM	4.66	Inhibition of alpha-glucosidase (unknown origin) using p-nitrophenyl-alpha-d-glu...	31112894
Unchecked	IC50	=	22100.0	nM	4.66	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-Nitrophenyl-alp...	32008883
Alpha-glucosidase	IC50	=	22100.0	nM	4.66	Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alp...	36680985

PubMed	DOI	Target Context	# Activities
36680985	10.1016/j.ejmech.2023.115119	Alpha-glucosidase	2
31112894	10.1016/j.ejmech.2019.04.025	Alpha glucosidase	1
32008883	10.1016/j.bmc.2019.115263	Unchecked	1

Data from ChEMBL 36 via Core Engine