TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 440.118 | Formula: C18H13BrCl2N2O2
H donors: 1 H acceptors: 2 LogP: 5.15 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Brc1cccc(c1)CNC(=O)c1c(C)onc1c1c(Cl)cccc1Cl
InChi: 1S/C18H13BrCl2N2O2/c1-10-15(18(24)22-9-11-4-2-5-12(19)8-11)17(23-25-10)16-13(20)6-3-7-14(16)21/h2-8H,9H2,1H3,(H,22,24)
InChiKey: VVZFUIJMIHCDEN-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

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Echinococcus granulosus	fetal alzheimer antigen falz	0.0068	0.08	0.0793
Entamoeba histolytica	hypothetical protein	0.0038	0.0341	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1257	0.41
Echinococcus multilocularis	microtubule associated protein 2	0.068	1	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0181	0.2496	0.249
Schistosoma mansoni	hypothetical protein	0.0031	0.0241	0.0044
Onchocerca volvulus		0.0031	0.0244	0.0346
Echinococcus granulosus	lamin	0.0028	0.0198	0.0191
Onchocerca volvulus	Alhambra homolog	0.0031	0.0233	0.0313
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0244	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0037	0.012
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0126	0.0413
Schistosoma mansoni	jumonji domain containing protein	0.008	0.0972	0.079
Brugia malayi	PHD-finger family protein	0.0031	0.0233	0.0729
Echinococcus granulosus	zinc finger protein	0.0059	0.0665	0.0658
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0198	0.0621
Echinococcus granulosus	PHD finger protein rhinoceros	0.0031	0.0233	0.0226
Plasmodium vivax	SET domain protein, putative	0.0031	0.0244	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0009	0.003
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0037	0.012
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0241	0.0234
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0083	0.1022	0.0841
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0126	1
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0198	0.0646
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0341	0.0334
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0126	1
Brugia malayi	Bromodomain containing protein	0.0228	0.3194	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.1257	0.41
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0241	0.0234
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0341	0.0146
Entamoeba histolytica	hypothetical protein	0.0038	0.0341	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0063	0.0724	0.2362
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0037	0.012
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0126	0.0396
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0198	0.0646
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0037	0.5
Brugia malayi	Pre-SET motif family protein	0.0219	0.3066	0.96
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0241	0.0234
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0126	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0109	0.1411	0.1405
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0083	0.1022	0.0841
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0244	0.0047
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0126	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0126	1
Trypanosoma cruzi	ISWI complex protein	0.0046	0.0469	0.5
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0244	0.0237
Echinococcus multilocularis	lamin dm0	0.0028	0.0198	0.0191
Schistosoma mansoni	hypothetical protein	0.0046	0.0469	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0787	0.2567
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0241	0.0234
Onchocerca volvulus		0.0049	0.0504	0.1113
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0241	0.0756
Entamoeba histolytica	hypothetical protein	0.0038	0.0341	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0037	0.033	0.0323
Echinococcus granulosus	lamin dm0	0.0028	0.0198	0.0191
Trypanosoma cruzi	ISWI complex protein	0.0046	0.0469	0.5
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0126	0.5
Brugia malayi	Bromodomain containing protein	0.0038	0.0341	0.1067
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0504	0.1645
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0031	0.0233	0.0035
Schistosoma mansoni	hypothetical protein	0.0031	0.0241	0.0044
Echinococcus granulosus	peregrin	0.0038	0.0341	0.0334
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0417	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0129	0.1717	0.5602
Echinococcus multilocularis	peregrin	0.0038	0.0341	0.0334
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0126	0.0396
Schistosoma mansoni	hypothetical protein	0.0068	0.0787	0.0601
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.1257	0.3936
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0244	0.0047
Brugia malayi	PHD-finger family protein	0.0076	0.0908	0.2843
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0037	0.139
Loa Loa (eye worm)	hypothetical protein	0.0028	0.019	0.0621
Onchocerca volvulus		0.0249	0.3521	1
Leishmania major	hypothetical protein, conserved	0.0046	0.0469	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0083	0.1022	0.1015
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0126	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0037	0.012
Echinococcus multilocularis	zinc finger protein	0.0059	0.0665	0.0658
Echinococcus granulosus	intermediate filament protein	0.0028	0.0198	0.0191
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0241	0.0756
Echinococcus granulosus	GPCR family 2	0.0031	0.0241	0.0234
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0052	0.055	0.0542
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.0233	0.9467
Loa Loa (eye worm)	PHD-finger family protein	0.0063	0.0713	0.2325
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.1541	0.5026
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0068	0.08	0.0793
Echinococcus granulosus	tumor protein p63	0.0333	0.478	0.4776
Brugia malayi	jmjC domain containing protein	0.0043	0.0417	0.1306
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.1257	0.3936
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0083	0.1022	0.1015
Brugia malayi	F/Y-rich N-terminus family protein	0.0017	0.0027	0.0084
Echinococcus multilocularis	musashi	0.0028	0.0198	0.0191
Schistosoma mansoni	hypothetical protein	0.0038	0.0341	0.0146
Plasmodium falciparum	phd finger protein, putative	0.0031	0.0233	1
Giardia lamblia	PHD finger protein 15	0.0031	0.0233	0.5
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0504	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0215	0.2999	0.978
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.1541	0.5026
Schistosoma mansoni	hypothetical protein	0.0063	0.0713	0.0525
Trypanosoma brucei	ISWI complex protein	0.0046	0.0469	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0417	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0233	0.0759
Echinococcus multilocularis	jumonji domain containing protein	0.0043	0.0414	0.0406
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0126	0.5
Loa Loa (eye worm)	bromodomain containing protein	0.0054	0.0577	0.1884
Schistosoma mansoni	zinc finger protein	0.0046	0.0469	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0198	0.0646
Brugia malayi	intermediate filament protein	0.0028	0.0198	0.0621
Echinococcus multilocularis	tumor protein p63	0.0333	0.478	0.4776
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0101	0.1283	0.1276
Brugia malayi	jmjC domain containing protein	0.0101	0.1283	0.4017
Brugia malayi	Bromodomain containing protein	0.0116	0.1519	0.4756
Schistosoma mansoni	bromodomain containing protein	0.0192	0.2659	0.2511
Echinococcus multilocularis	lamin	0.0028	0.0198	0.0191
Schistosoma mansoni	hypothetical protein	0.0031	0.0241	0.0044
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0226	0.0219
Onchocerca volvulus		0.0028	0.0198	0.0211
Schistosoma mansoni	zinc finger protein	0.0059	0.0665	0.0476
Brugia malayi	MH2 domain containing protein	0.0118	0.1541	0.4825
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0563	0.1835
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0241	0.0787
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0787	0.2464
Brugia malayi	hypothetical protein	0.0038	0.0341	0.1067
Loa Loa (eye worm)	PHD-finger family protein	0.0031	0.0233	0.0759
Brugia malayi	Pre-SET motif family protein	0.0031	0.0244	0.0764
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0101	0.1283	0.1276
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0031	0.0233	0.0226
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0126	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0126	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0241	0.0787
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1522	0.4965
Loa Loa (eye worm)	hypothetical protein	0.0124	0.163	0.5317
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0219	0.3066	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0037	0.012
Entamoeba histolytica	hypothetical protein	0.0038	0.0341	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0043	0.0417	0.136
Brugia malayi	PHD-finger family protein	0.0016	0.0009	0.0029
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0068	0.08	0.0614
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0126	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0109	0.1411	0.1405
Onchocerca volvulus		0.0028	0.0198	0.0211
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0126	1
Schistosoma mansoni	microtubule-associated protein tau	0.068	1	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0052	0.055	0.0358
Trichomonas vaginalis	set domain proteins, putative	0.0249	0.3521	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0241	0.0234
Echinococcus granulosus	lysine specific demethylase 5A	0.0043	0.0417	0.041
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0341	0.0334
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0126	0.0413
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0052	0.055	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0126	0.0413
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0181	0.2496	0.249
Schistosoma mansoni	hypothetical protein	0.0031	0.0233	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0083	0.1022	0.3334
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0126	0.0396
Echinococcus granulosus	jumonji domain containing protein	0.0043	0.0414	0.0406
Schistosoma mansoni	hypothetical protein	0.0031	0.0241	0.0044
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0052	0.055	0.0542

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL602487

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 1097510