Compound Detail

CHEMBL244476

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)Nc4ccc(Cl)cc4)cc(c23)C1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL244476
Phase	Preclinical
Structure Type	MOL
InChI Key	BDKGJWOUPHUASR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

436.9

MW (Da)

4.29

ALogP

HBA

HBD

81.8

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 5.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
A549 CHEMBL392	IC50	5.72	5.72	1900.0	1
LoVo CHEMBL614721	IC50	5.7	5.7	2000.0	1
MCF7 CHEMBL387	IC50	5.62	5.62	2400.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.55	5.495	2800.0	2
HCT-15 CHEMBL612263	IC50	5.51	5.51	3100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
A549	IC50	=	1900.0	nM	5.72	Antiproliferative activity against A549 cells after 72 hrs by MTT assay	17658777
LoVo	IC50	=	2000.0	nM	5.7	Antiproliferative activity against LoVo cells after 72 hrs by MTT assay	17658777
MCF7	IC50	=	2400.0	nM	5.62	Antiproliferative activity against MCF7 cells after 72 hrs by MTT assay	17658777
NON-PROTEIN TARGET	IC50	=	2800.0	nM	5.55	Antiproliferative activity against Hs683 cells after 72 hrs by MTT assay	17658777
HCT-15	IC50	=	3100.0	nM	5.51	Antiproliferative activity against HCT15 cells after 72 hrs by MTT assay	17658777
NON-PROTEIN TARGET	IC50	=	3600.0	nM	5.44	Antiproliferative activity against U373MG 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