Compound Detail

CHEMBL394771

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)NCCCl)cc(c23)C1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL394771
Phase	Preclinical
Structure Type	MOL
InChI Key	LKAIXNULLMPIEB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

388.9

MW (Da)

2.36

ALogP

HBA

HBD

81.8

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 6.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.0	5.67	1000.0	2
LoVo CHEMBL614721	IC50	5.75	5.75	1800.0	1
A549 CHEMBL392	IC50	5.52	5.52	3000.0	1
MCF7 CHEMBL387	IC50	5.41	5.41	3900.0	1
HCT-15 CHEMBL612263	IC50	5.25	5.25	5600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	1000.0	nM	6.0	Antiproliferative activity against U373MG cells after 72 hrs by MTT assay	17658777
LoVo	IC50	=	1800.0	nM	5.75	Antiproliferative activity against LoVo cells after 72 hrs by MTT assay	17658777
A549	IC50	=	3000.0	nM	5.52	Antiproliferative activity against A549 cells after 72 hrs by MTT assay	17658777
MCF7	IC50	=	3900.0	nM	5.41	Antiproliferative activity against MCF7 cells after 72 hrs by MTT assay	17658777
NON-PROTEIN TARGET	IC50	=	4600.0	nM	5.34	Antiproliferative activity against Hs683 cells after 72 hrs by MTT assay	17658777
HCT-15	IC50	=	5600.0	nM	5.25	Antiproliferative activity against HCT15 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