Compound Detail

CHEMBL28471

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Cc1ccc(/C=C2\CCCc3ccccc3C2=O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL28471
Phase	Preclinical
Structure Type	MOL
InChI Key	LDCMXYLIKNLZEF-GHRIWEEISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

262.4

MW (Da)

4.60

ALogP

HBA

HBD

17.1

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 4.94

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
CCRF-CEM CHEMBL382	IC50	4.94	4.94	11400.0	1
P388 CHEMBL389	IC50	4.93	4.93	11800.0	1
Jurkat CHEMBL397	IC50	4.84	4.84	14600.0	1
MOLT-4 CHEMBL614177	IC50	4.67	4.67	21300.0	1
L1210 CHEMBL386	IC50	4.6	4.6	25000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
CCRF-CEM	IC50	=	11400.0	nM	4.94	Inhibitory activity was tested against CEM cells	10212121
P388	IC50	=	11800.0	nM	4.93	Inhibitory activity was tested against P388 cells	10212121
Jurkat	IC50	=	14600.0	nM	4.84	Inhibitory concentration against Human Jurkat T cells	10212121
MOLT-4	IC50	=	21300.0	nM	4.67	Inhibitory activity was tested against Molt4/C8 cells	10212121
L1210	IC50	=	25000.0	nM	4.6	Inhibitory activity was tested against L1210 cells	10212121

PubMed	DOI	Target Context	# Activities
10212121	10.1021/jm9806695	Jurkat	4
10212121	10.1021/jm9806695	P388	2
10212121	10.1021/jm9806695	L1210	2
10212121	10.1021/jm9806695	MOLT-4	2
10212121	10.1021/jm9806695	CCRF-CEM	2
10212121	10.1021/jm9806695	Tumor Cell line	1

Data from ChEMBL 36 via Core Engine