Compound Detail

CHEMBL482585

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COCc1c(Br)c(Br)c(O)c(O)c1Cc1cc(O)c(O)c(Br)c1Br

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL482585
Phase	Preclinical
Structure Type	MOL
InChI Key	QWSVGLPQWGUHDB-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

591.9

MW (Da)

5.30

ALogP

HBA

HBD

90.2

PSA (Å²)

0.36

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 4 meas. best 5.6

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
A549 CHEMBL392	IC50	5.6	5.6	2500.0	1
MCF7 CHEMBL387	IC50	5.57	5.57	2700.0	1
Bel-7402 CHEMBL614279	IC50	5.32	5.32	4800.0	1
BGC-823 CHEMBL614526	IC50	5.06	5.06	8800.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
A549	IC50	=	2500.0	nM	5.6	Cytotoxicity against human A549 cells after 96 hrs by MTT assay	15497936
MCF7	IC50	=	2700.0	nM	5.57	Cytotoxicity against human MCF7 cells after 96 hrs by MTT assay	15497936
Bel-7402	IC50	=	4800.0	nM	5.32	Cytotoxicity against human Bel7402 cells after 96 hrs by MTT assay	15497936
BGC-823	IC50	=	8800.0	nM	5.06	Cytotoxicity against human BGC823 cells after 96 hrs by MTT assay	15497936

PubMed	DOI	Target Context	# Activities
15497936	10.1021/np0400609	A549	1
15497936	10.1021/np0400609	BGC-823	1
15497936	10.1021/np0400609	MCF7	1
15497936	10.1021/np0400609	Bel-7402	1
15497936	10.1021/np0400609	HCT-8	1

Data from ChEMBL 36 via Core Engine