TDR Targets

Basic information

Technical information

TDR Targets ID: 1403588
Name: 2,4-dibromo-N-quinolin-8-ylbenzamide
MW: 406.071 | Formula: C16H10Br2N2O
H donors: 1 H acceptors: 2 LogP: 4.41 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(c(c1)Br)C(=O)Nc1cccc2c1nccc2
InChi: 1S/C16H10Br2N2O/c17-11-6-7-12(13(18)9-11)16(21)20-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,(H,20,21)
InChiKey: BSUQKXHDEVLSER-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

2,4-dibromo-N-(8-quinolyl)benzamide
2,4-dibromo-N-quinolin-8-yl-benzamide
2,4-dibromo-N-(8-quinolinyl)benzamide
MLS001180753
SMR000477314
ZINC00682429

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	l(3)mbt-like 1 (Drosophila)	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 4 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 3 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Echinococcus multilocularis	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.0511	0.052
Echinococcus granulosus	pyruvate kinase	0.0034	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0245	0.1234	0.1257
Echinococcus multilocularis	pyruvate kinase	0.0034	0.0017	0.0017
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0166	0.0781	0.0781
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0003	0.0003
Giardia lamblia	Pyruvate kinase	0.0034	0.0017	0.5
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0037	0.0033	0.027
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0033	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0033	1
Schistosoma mansoni	hypothetical protein	0.035	0.1842	0.1842
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0153	0.0155
Plasmodium vivax	pyruvate kinase, putative	0.0034	0.0017	0.5
Echinococcus granulosus	neutral alpha glucosidase AB	0.0037	0.0033	0.0033
Brugia malayi	mbt repeat family protein	0.0058	0.0153	0.0153
Schistosoma mansoni	pyruvate kinase	0.0034	0.0017	0.0017
Echinococcus multilocularis	neuropeptide receptor A26	0.0463	0.2496	0.2496
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0003	0.0003
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0034	0.0017	0.5
Trichomonas vaginalis	pyruvate kinase, putative	0.0034	0.0017	0.5052
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0003	0.0003
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.0017	0.0448
Onchocerca volvulus		0.0096	0.0376	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0033	1
Brugia malayi	mbt repeat family protein	0.0058	0.0153	0.0153
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0037	0.0033	0.0033
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0166	0.0781	0.0781
Echinococcus granulosus	pyruvate kinase	0.0034	0.0017	0.0017
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0033	1
Toxoplasma gondii	hypothetical protein	0.0245	0.1234	1
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0215	0.0219
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.0017	0.0017
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0245	0.1234	0.1257
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0034	0.0017	0.0017
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0034	0.0017	0.5052
Loa Loa (eye worm)	hypothetical protein	0.0747	0.4134	0.4209
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0058	0.0153	0.4059
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.0511	0.052
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0033	1
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0003	0.0003
Echinococcus multilocularis	pyruvate kinase	0.0034	0.0017	0.0017
Onchocerca volvulus		0.0058	0.0153	0.4059
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.009	0.009
Loa Loa (eye worm)	MBCTL1	0.0066	0.0199	0.0202
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0033	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0215	0.0215
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0037	0.0033	0.0033
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0034	0.0017	0.5
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0037	0.0033	1
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0037	0.0033	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.0398	0.0406
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.009	0.009
Schistosoma mansoni	hypothetical protein	0.0032	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0003	0.0003
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0037	0.0033	0.0034
Leishmania major	pyruvate kinase	0.0034	0.0017	0.5052
Echinococcus multilocularis	polycomb protein SCMH1	0.0058	0.0153	0.0153
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.009	0.009
Trypanosoma brucei	pyruvate kinase 1	0.0034	0.0017	0.5052
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0066	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0245	0.1234	0.1257
Schistosoma mansoni	hypothetical protein	0.0032	0.0003	0.0003
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0034	0.0017	0.5052
Schistosoma mansoni	alpha-glucosidase	0.0143	0.0647	0.0647
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0033	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.009	0.009
Trichomonas vaginalis	pyruvate kinase, putative	0.0034	0.0017	0.5052
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0003	0.0003
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.0017	0.0448
Schistosoma mansoni	pyruvate kinase	0.0034	0.0017	0.0017
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.01	0.0398	0.0406
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0017	0.0017
Schistosoma mansoni	alpha-glucosidase	0.0143	0.0647	0.0647
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0033	0.5
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0066	0.0199	0.0199
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0034	0.0017	0.0017
Schistosoma mansoni	alpha glucosidase	0.0037	0.0033	0.0033
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.009	0.009
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.009	0.009
Echinococcus granulosus	geminin	0.0176	0.0835	0.0835
Echinococcus granulosus	histone acetyltransferase MYST2	0.0066	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0199	0.0202
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0227	0.1131	0.1131
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0058	0.0153	0.0153
Loa Loa (eye worm)	voltage-gated potassium channel	0.1732	0.982	1
Mycobacterium ulcerans	ion transport protein	0.0075	0.0251	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.009	0.0092
Schistosoma mansoni	hypothetical protein	0.0068	0.0215	0.0215
Echinococcus multilocularis	geminin	0.0176	0.0835	0.0835
Schistosoma mansoni	hypothetical protein	0.0176	0.0835	0.0835
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0003	0.0003
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0747	0.4134	0.4209
Echinococcus granulosus	GPCR family 2	0.0032	0.0003	0.0003
Trypanosoma brucei	pyruvate kinase 1, putative	0.0034	0.0017	0.5052
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.009	0.009
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.009	0.009
Echinococcus granulosus	polycomb protein SCMH1	0.0058	0.0153	0.0153
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.0153	0.0153
Echinococcus granulosus	SAM and MBT domain containing protein	0.0058	0.0153	0.0153
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0166	0.0781	0.0796
Toxoplasma gondii	pyruvate kinase PyK1	0.0034	0.0017	0.0136
Plasmodium falciparum	pyruvate kinase	0.0034	0.0017	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0007	0.0007
Leishmania major	alpha glucosidase II subunit, putative	0.0037	0.0033	1
Schistosoma mansoni	hypothetical protein	0.0176	0.0835	0.0835
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0033	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0066	0.0199	0.0199
Schistosoma mansoni	hypothetical protein	0.0032	0.0003	0.0003
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0007	0.0007
Echinococcus granulosus	neuropeptide s receptor	0.0463	0.2496	0.2496
Echinococcus granulosus	lysosomal alpha glucosidase	0.0166	0.0781	0.0781
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0227	0.1131	0.1131
Brugia malayi	Calcitonin receptor-like protein seb-1	0.01	0.0398	0.0398
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0066	0.0199	0.0199
Echinococcus granulosus	potassium voltage gated channel subfamily KQT	0.0747	0.4134	0.4134
Trichomonas vaginalis	alpha-glucosidase, putative	0.0037	0.0033	1
Leishmania major	pyruvate kinase	0.0034	0.0017	0.5052
Loa Loa (eye worm)	mbt repeat family protein	0.0058	0.0153	0.0155
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.0153	0.0153
Brugia malayi	MH2 domain containing protein	0.012	0.0511	0.0511
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0037	0.0033	1
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0747	0.4134	0.4134
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0166	0.0781	0.0781
Trypanosoma brucei	glucosidase, putative	0.0037	0.0033	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.01	0.0398	0.0398
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0066	0.0199	0.0199
Echinococcus granulosus	neuropeptide receptor A26	0.0463	0.2496	0.2496
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.5474	0.5474
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0058	0.0153	0.0153
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0747	0.4134	0.4209
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.0017	0.0017
Schistosoma mansoni	hypothetical protein	0.0032	0.0003	0.0003
Chlamydia trachomatis	pyruvate kinase	0.0034	0.0017	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0463	0.2496	0.2496
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.0017	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0245	0.1234	0.1257

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference
Potency (functional)	8.2753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.3489 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1542069

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1403588