Compound Detail

CHEMBL209643

Enter ChEMBL ID:

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

CC1(C)CC(NC(=O)Nc2cccc(Cl)c2)c2cc(Br)ccc2O1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL209643
Phase	Preclinical
Structure Type	MOL
InChI Key	HLXNKMOLEFMIFG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

409.7

MW (Da)

5.53

ALogP

HBA

HBD

50.4

PSA (Å²)

0.69

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.39

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Pancreatic beta cell CHEMBL614780	IC50	5.39	5.39	4060.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.21	4.185	61000.0	2
T98G CHEMBL614775	IC50	4.17	4.17	67000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Pancreatic beta cell	IC50	=	4060.0	nM	5.39	Inhibition of insulin release in Wistar rat pancreatic islet beta cells	16854075
NON-PROTEIN TARGET	IC50	=	61000.0	nM	4.21	Growth inhibition of human Hs683 cells after 72 hrs by MTT assay	22809560
T98G	IC50	=	67000.0	nM	4.17	Growth inhibition of human T98G cells after 72 hrs by MTT assay	22809560
NON-PROTEIN TARGET	IC50	=	69000.0	nM	4.16	Growth inhibition of human U373 cells after 72 hrs by MTT assay	22809560

PubMed	DOI	Target Context	# Activities
16854075	10.1021/jm060161z	Pancreatic beta cell	4
22809560	10.1016/j.ejmech.2012.06.050	T98G	2
22809560	10.1016/j.ejmech.2012.06.050	NON-PROTEIN TARGET	2
16854075	10.1021/jm060161z	Rattus norvegicus	1
22809560	10.1016/j.ejmech.2012.06.050	B16-F10	1
22809560	10.1016/j.ejmech.2012.06.050	Unchecked	1
22809560	10.1016/j.ejmech.2012.06.050	Hs 683	1

Data from ChEMBL 36 via Core Engine