Compound Detail

CHEMBL17751

Enter ChEMBL ID:

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

CC(=O)Nc1ccc(N(CCCl)CCCl)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL17751
Phase	Preclinical
Structure Type	MOL
InChI Key	KKJPUHZODXVLPP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

275.2

MW (Da)

2.93

ALogP

HBA

HBD

32.3

PSA (Å²)

0.81

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
UV4 CHEMBL612800	IC50	7.0	7.0	100.0	1
CHO-AA8 CHEMBL614555	IC50	5.51	5.51	3100.0	1
P388 CHEMBL389	IC50	5.09	5.09	8200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
UV4	IC50	=	100.0	nM	7.0	In vitro cytotoxicity against transformed chinese hamster fibroblast line UV4.	2319563
CHO-AA8	IC50	=	3100.0	nM	5.51	In vitro cytotoxicity against transformed chinese hamster fibroblast line AA8	2319563
P388	IC50	=	8200.0	nM	5.09	In vitro cytotoxicity against P388 murine leukemia	2319563

PubMed	DOI	Target Context	# Activities
2319563	10.1021/jm00166a015	P388	3
7783158	10.1021/jm00012a027	ADMET	2
2319563	10.1021/jm00166a015	ADMET	2
619146	10.1021/jm00199a004	No relevant target	2
2319563	10.1021/jm00166a015	CHO-AA8	1
2319563	10.1021/jm00166a015	UV4	1
2319563	10.1021/jm00166a015	Unchecked	1
619146	10.1021/jm00199a004	W256	1
619146	10.1021/jm00199a004	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine