Compound Detail

CHEMBL145586

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Cc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL145586
Phase	Preclinical
Structure Type	MOL
InChI Key	GZQOFEOTVUDSLP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

322.4

MW (Da)

2.57

ALogP

HBA

HBD

71.2

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 9.33

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
L1210 CHEMBL386	IC50	9.33	9.33	0.5	1
HCT-8 CHEMBL613510	IC50	7.96	7.96	11.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
L1210	IC50	=	0.47	nM	9.33	In vitro inhibition of Murine leukemia (L1210) cell growth.	3560160
HCT-8	IC50	=	11.0	nM	7.96	In vitro inhibitory activity was determined against Human colon tumor (HCT-8) ce...	3560160

PubMed	DOI	Target Context	# Activities
3560160	10.1021/jm00387a013	Mus musculus	4
3560160	10.1021/jm00387a013	No relevant target	2
3560160	10.1021/jm00387a013	Calf thymus DNA	2
3959026	10.1021/jm00154a008	Calf thymus DNA	2
3560160	10.1021/jm00387a013	L1210	1
3560160	10.1021/jm00387a013	HCT-8	1
3560160	10.1021/jm00387a013	Unchecked	1
3959026	10.1021/jm00154a008	L1210	1
3959026	10.1021/jm00154a008	HCT-8	1
3959026	10.1021/jm00154a008	Mus musculus	1
3959026	10.1021/jm00154a008	P388	1
3959026	10.1021/jm00154a008	Unchecked	1

Data from ChEMBL 36 via Core Engine