Compound Detail

CHEMBL244059

Enter ChEMBL ID:

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

CN(C)CCN1C(=O)c2cccc3cc(NC(=O)Cc4ccc(Cl)cc4)cc(c23)C1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL244059
Phase	Preclinical
Structure Type	MOL
InChI Key	WJPLSQVASRRDDI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

435.9

MW (Da)

3.83

ALogP

HBA

HBD

69.7

PSA (Å²)

0.60

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 5.33

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
A549 CHEMBL392	IC50	5.33	5.33	4700.0	1
MCF7 CHEMBL387	IC50	5.32	5.32	4800.0	1
LoVo CHEMBL614721	IC50	5.32	5.32	4800.0	1
HCT-15 CHEMBL612263	IC50	5.26	5.26	5500.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.24	5.2	5800.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
A549	IC50	=	4700.0	nM	5.33	Antiproliferative activity against A549 cells after 72 hrs by MTT assay	17658777
LoVo	IC50	=	4800.0	nM	5.32	Antiproliferative activity against LoVo cells after 72 hrs by MTT assay	17658777
MCF7	IC50	=	4800.0	nM	5.32	Antiproliferative activity against MCF7 cells after 72 hrs by MTT assay	17658777
HCT-15	IC50	=	5500.0	nM	5.26	Antiproliferative activity against HCT15 cells after 72 hrs by MTT assay	17658777
NON-PROTEIN TARGET	IC50	=	5800.0	nM	5.24	Antiproliferative activity against U373MG cells after 72 hrs by MTT assay	17658777
NON-PROTEIN TARGET	IC50	=	7000.0	nM	5.16	Antiproliferative activity against Hs683 cells after 72 hrs by MTT assay	17658777

PubMed	DOI	Target Context	# Activities
17658777	10.1021/jm070315q	NON-PROTEIN TARGET	2
17658777	10.1021/jm070315q	HCT-15	1
17658777	10.1021/jm070315q	LoVo	1
17658777	10.1021/jm070315q	A549	1
17658777	10.1021/jm070315q	MCF7	1
17658777	10.1021/jm070315q	Mus musculus	1
17658777	10.1021/jm070315q	L1210	1

Data from ChEMBL 36 via Core Engine