Compound Detail

CHEMBL223448

BROXYQUINOLINE

💊 Approved Drug

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💊 Approved Drug

Oc1c(Br)cc(Br)c2cccnc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL223448
Name	BROXYQUINOLINE
Phase	Approved
Structure Type	MOL
InChI Key	ZDASUJMDVPTNTF-UHFFFAOYSA-N

Known Names

Broxiquinolina Broxyquinoline NSC-1810 Starogyn

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

302.9

MW (Da)

3.47

ALogP

HBA

HBD

33.1

PSA (Å²)

0.81

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Withdrawn
Chirality	Achiral

Flags

Withdrawn Natural Product

Extended Properties

Molecular Formula	C9H5Br2NO
MW	302.95
Aromatic Rings	2
Heavy Atoms	13
NP-Likeness	-0.30

Indications

Amebiasis

ATC Classification

A07AX01

broxyquinoline

Level 1: ALIMENTARY TRACT AND METABOLISM

Level 2: ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS

G01AC06

broxyquinoline

Level 1: GENITO URINARY SYSTEM AND SEX HORMONES

Level 2: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS

P01AA01

broxyquinoline

Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS

Level 2: ANTIPROTOZOALS

Drug Warnings

Withdrawn

neurotoxicity

Clioquinol might be one of the causes of subacute myelooptic neuropathy

Country: Japan Year: 1970

Activity Summary

IC50 10 meas. best 6.94

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.94	6.5725	114.2	8
Catechol O-methyltransferase CHEMBL2372	IC50	5.39	5.39	4073.8	1
Metallo-beta-lactamase type 2 CHEMBL5465386	IC50	5.38	5.38	4200.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	114.24	nM	6.94	PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ...	-
Unchecked	IC50	=	132.24	nM	6.88	PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co...	-
Unchecked	IC50	=	156.76	nM	6.8	PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co...	-
Unchecked	IC50	=	163.13	nM	6.79	PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf...	-
Unchecked	IC50	=	183.33	nM	6.74	PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (...	-
Unchecked	IC50	=	192.72	nM	6.71	PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c...	-
Unchecked	IC50	=	365.7	nM	6.44	PubChem BioAssay. SNU-C1 viability from Cell TiterGlo-IC50. (Class of assay: c...	-
Catechol O-methyltransferase	IC50	=	4073.8	nM	5.39	Inhibition of Sprague-Dawley rat liver COMT after 10 mins using 0.05 uCi [14CH3]...	817025
Metallo-beta-lactamase type 2	IC50	=	4200.0	nM	5.38	Inhibition of C-terminal 6His-tagged full length NDM-1 (unknown origin) expresse...	37585683
Unchecked	IC50	=	5252.2	nM	5.28	PubChem BioAssay. HT-29 viability from Cell TiterGlo-IC50. (Class of assay: co...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
17178795	10.1128/aac.01310-06	Mycobacterium tuberculosis	1
22781704	10.1016/j.ejmech.2012.06.046	Plasmodium falciparum	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B1	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B3	1
817025	10.1021/jm00226a025	Catechol O-methyltransferase	1
28051303	10.1021/acs.jmedchem.6b01203	Candida albicans	1
-	10.1101/2020.04.03.023846	SARS-CoV-2	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
37585683	10.1021/acs.jmedchem.3c00171	Metallo-beta-lactamase type 2	1

Data from ChEMBL 36 via Core Engine