Compound Detail

CHEMBL2430240

Enter ChEMBL ID:

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

Oc1cccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2430240
Phase	Preclinical
Structure Type	MOL
InChI Key	FGLJUTUOWQVOHV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

496.2

MW (Da)

7.06

ALogP

HBA

HBD

51.8

PSA (Å²)

0.25

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.55

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MCF7 CHEMBL387	IC50	5.55	5.55	2800.0	1
HeLa CHEMBL399	IC50	5.41	5.41	3900.0	1
A549 CHEMBL392	IC50	5.1	5.1	8000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MCF7	IC50	=	2800.0	nM	5.55	Cytotoxicity against human MCF7 cells assessed as growth inhibition after 48 hrs...	-
HeLa	IC50	=	3900.0	nM	5.41	Cytotoxicity against human HeLa cells assessed as growth inhibition after 48 hrs...	-
A549	IC50	=	8000.0	nM	5.1	Cytotoxicity against human A549 cells assessed as growth inhibition after 48 hrs...	-

PubMed	DOI	Target Context	# Activities
-	10.1007/s00044-013-0764-4	Staphylococcus aureus	4
-	10.1007/s00044-013-0764-4	Enterococcus faecalis	2
-	10.1007/s00044-013-0764-4	Pseudomonas aeruginosa	1
-	10.1007/s00044-013-0764-4	Escherichia coli	1
-	10.1039/C2MD20098H	MCF7	1
-	10.1039/C2MD20098H	HeLa	1
-	10.1039/C2MD20098H	A549	1
32220687	10.1016/j.ejmech.2020.112245	Staphylococcus aureus	1

Data from ChEMBL 36 via Core Engine