TDR Targets

Basic information

Technical information

TDR Targets ID: 697082
Name: 1-[(4-bromophenyl)methyl]-N-(5-methyl-1,3,4-t hiadiazol-2-yl)-2-oxopyridine-3-carboxamide
MW: 405.269 | Formula: C16H13BrN4O2S
H donors: 1 H acceptors: 4 LogP: 2.8 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)Cn1cccc(c1=O)C(=O)Nc1nnc(s1)C
InChi: 1S/C16H13BrN4O2S/c1-10-19-20-16(24-10)18-14(22)13-3-2-8-21(15(13)23)9-11-4-6-12(17)7-5-11/h2-8H,9H2,1H3,(H,18,20,22)
InChiKey: FVBCTTNPIWRUQH-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

1-[(4-bromophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-pyridine-3-carboxamide
1-[(4-bromophenyl)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-3-pyridinecarboxamide
1-(4-bromobenzyl)-2-keto-N-(5-methyl-1,3,4-thiadiazol-2-yl)nicotinamide

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	guanine nucleotide binding protein Gs subunit	0.0052	0.765	0.9484
Mycobacterium tuberculosis	Probable oxidoreductase	0.0006	0.0273	0.5
Giardia lamblia	Hypothetical protein	0.0048	0.7053	1
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0021	0.2632	0.2898
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0531	0.0332
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0054	0.8051	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.765	0.765
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0531	0.0332
Echinococcus granulosus	cpg binding protein	0.0033	0.4619	0.5589
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0021	0.2632	0.3033
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0048	0.7053	0.8692
Toxoplasma gondii	flavodoxin domain-containing protein	0.0027	0.3629	0.3912
Mycobacterium tuberculosis	Possible oxygenase	0.0006	0.0273	0.5
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0054	0.8051	1
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0021	0.2632	0.3033
Giardia lamblia	Nitric oxide synthase, inducible	0.0048	0.7053	1
Leishmania major	cytochrome P450 reductase, putative	0.0048	0.7053	0.8717
Mycobacterium tuberculosis	Hypothetical oxidoreductase	0.0006	0.0273	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.765	0.9484
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0054	0.8051	1
Brugia malayi	FAD binding domain containing protein	0.0054	0.8051	1
Brugia malayi	FAD binding domain containing protein	0.0034	0.4694	0.5684
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0021	0.2632	0.3033
Schistosoma mansoni	cpg binding protein	0.0031	0.4331	0.4331
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0034	0.4694	0.5684
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0819	0.0703
Schistosoma mansoni	cytochrome B5	0.0006	0.0273	0.0273
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0021	0.2632	0.3033
Entamoeba histolytica	type A flavoprotein, putative	0.0021	0.2632	0.5
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0021	0.2632	0.2898
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.0021	0.2632	0.3033
Treponema pallidum	flavodoxin	0.0021	0.2632	1
Mycobacterium tuberculosis	Probable monooxygenase	0.0006	0.0273	0.5
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0531	0.0332
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0054	0.8051	1
Trypanosoma cruzi	p450 reductase, putative	0.0054	0.8051	1
Plasmodium vivax	flavodoxin domain containing protein	0.0048	0.7053	0.8717
Schistosoma mansoni	NADH-cytochrome B5 reductase	0.0006	0.0273	0.0273
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0839	0.0729
Toxoplasma gondii	flavodoxin domain-containing protein	0.0027	0.3629	0.3912
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0027	0.3696	0.3696
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0054	0.8051	1
Schistosoma mansoni	diflavin oxidoreductase	0.0027	0.3629	0.3629
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0054	0.8051	1
Plasmodium falciparum	nitric oxide synthase, putative	0.0054	0.8051	1
Leishmania major	hypothetical protein, conserved	0.0021	0.2632	0.3033
Loa Loa (eye worm)	flavodoxin family protein	0.0021	0.2632	0.3033
Loa Loa (eye worm)	hypothetical protein	0.0054	0.8051	1
Entamoeba histolytica	type A flavoprotein, putative	0.0021	0.2632	0.5
Schistosoma mansoni	cpg binding protein	0.0033	0.4619	0.4619
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0839	0.0729
Trichomonas vaginalis	sulfite reductase, putative	0.0054	0.8051	1
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0054	0.8051	1
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0054	0.8051	1
Leishmania major	p450 reductase, putative	0.0054	0.8051	1
Echinococcus granulosus	methionine synthase reductase	0.0034	0.4694	0.5684
Entamoeba histolytica	type A flavoprotein, putative	0.0021	0.2632	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0021	0.2632	0.3033
Echinococcus multilocularis	methionine synthase reductase	0.0034	0.4694	0.5684
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.765	0.9484
Entamoeba histolytica	type A flavoprotein, putative	0.0021	0.2632	0.5
Brugia malayi	flavodoxin family protein	0.0021	0.2632	0.3033
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.765	0.765
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.765	0.9484
Entamoeba histolytica	type A flavoprotein, putative	0.0021	0.2632	0.5
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0054	0.8051	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.8854	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.765	0.765
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0021	0.2632	0.2898
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0021	0.2632	0.2898
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0054	0.8051	1
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0054	0.8051	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.765	0.9484
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0054	0.8051	1
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0054	0.8051	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.765	0.9484
Schistosoma mansoni	cytochrome P450 reductase	0.0054	0.8051	0.8051
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0839	0.0729
Onchocerca volvulus		0.0031	0.4331	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.4331	0.5218
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0054	0.8051	1
Brugia malayi	flavodoxin family protein	0.0054	0.8051	1
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0054	0.8051	1
Echinococcus multilocularis	cpg binding protein	0.0033	0.4619	0.5589
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0034	0.4694	0.4694
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.0006	0.0273	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0531	0.0531
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0531	0.0332
Chlamydia trachomatis	sulfite reductase	0.0034	0.4694	1
Schistosoma mansoni	cpg binding protein	0.0033	0.4619	0.4619
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0021	0.2632	0.3033
Brugia malayi	CXXC zinc finger family protein	0.0031	0.4331	0.5218

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 697082