Compound Detail

CHEMBL83297

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)c2ccc(Cl)c3c(=O)c4ccccc4n(c1=O)c23

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL83297
Phase	Preclinical
Structure Type	MOL
InChI Key	YEVMBRBTFGQAMM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

369.8

MW (Da)

1.78

ALogP

HBA

HBD

63.8

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
LoVo CHEMBL614721	IC50	5.92	5.885	1200.0	2
HT-29 CHEMBL384	IC50	5.17	5.17	6700.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
LoVo	IC50	=	1200.0	nM	5.92	In vitro cytotoxicity was tested against human colon adenocarcinoma LoVo cell li...	10411474
LoVo	IC50	=	1400.0	nM	5.85	In vitro cytotoxicity was tested against human colon adenocarcinoma LoVo/Dx resi...	10411474
HT-29	IC50	=	6700.0	nM	5.17	In vitro cytotoxicity was tested against human colon adenocarcinoma HT-29 cell l...	10411474
HT-29	IC50	=	6700.0	nM	5.17	Cytotoxicity against human HT-29 cells after 144 hrs	18774722

PubMed	DOI	Target Context	# Activities
10411474	10.1021/jm9805586	LoVo	3
10411474	10.1021/jm9805586	Nucleic Acid	2
10411474	10.1021/jm9805586	HT-29	1
10411474	10.1021/jm9805586	Calf thymus DNA	1
10411474	10.1021/jm9805586	No relevant target	1
18774722	10.1016/j.bmc.2008.08.027	HT-29	1

Data from ChEMBL 36 via Core Engine