Compound Detail

CHEMBL28755

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O=C1/C(=C/c2ccc(F)cc2)CCc2ccccc21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL28755
Phase	Preclinical
Structure Type	MOL
InChI Key	UFYHKHRBFAQTGQ-SDNWHVSQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

252.3

MW (Da)

4.04

ALogP

HBA

HBD

17.1

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 4.8

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
P388 CHEMBL389	IC50	4.8	4.8	15900.0	1
CCRF-CEM CHEMBL382	IC50	4.48	4.48	33400.0	1
MOLT-4 CHEMBL614177	IC50	4.38	4.38	41200.0	1
L1210 CHEMBL386	IC50	4.31	4.31	49300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
P388	IC50	=	15900.0	nM	4.8	Inhibitory activity was tested against P388 cells	10212121
CCRF-CEM	IC50	=	33400.0	nM	4.48	Inhibitory activity was tested against CEM cells	10212121
MOLT-4	IC50	=	41200.0	nM	4.38	Inhibitory activity was tested against Molt4/C8 cells	10212121
L1210	IC50	=	49300.0	nM	4.31	Inhibitory activity was tested against L1210 cells	10212121

PubMed	DOI	Target Context	# Activities
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
37666364	10.1016/j.bmcl.2023.129467	A549	2
37666364	10.1016/j.bmcl.2023.129467	MCF7	1
37666364	10.1016/j.bmcl.2023.129467	PANC-1	1

Data from ChEMBL 36 via Core Engine