TDR Targets

Basic information

Technical information

TDR Targets ID: 909831
Name: 3,4-dimethoxy-N-[4-(4-nitrophenyl)-1,3-thiazo l-2-yl]benzamide
MW: 385.394 | Formula: C18H15N3O5S
H donors: 1 H acceptors: 4 LogP: 3.55 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1OC)C(=O)Nc1scc(n1)c1ccc(cc1)[N+](=O)[O-]
InChi: 1S/C18H15N3O5S/c1-25-15-8-5-12(9-16(15)26-2)17(22)20-18-19-14(10-27-18)11-3-6-13(7-4-11)21(23)24/h3-10H,1-2H3,(H,19,20,22)
InChiKey: BRGPYBNVEVUCJL-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

3,4-dimethoxy-N-[4-(4-nitrophenyl)thiazol-2-yl]benzamide
3,4-dimethoxy-N-[4-(4-nitrophenyl)-2-thiazolyl]benzamide
Oprea1_054608
AK-968/37173295
ZINC02741438
STK326533

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
Loa Loa (eye worm)	hypothetical protein	0.0064	0.22	0.44
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.0108	0.4923	1
Entamoeba histolytica	adenosine deaminase, putative	0.0095	0.4158	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0086	0.3579	0.7237
Brugia malayi	methionyl-tRNA synthetase	0.0065	0.2214	0.443
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0108	0.4923	0.4905
Leishmania major	AMP deaminase, putative,adenosine monophosphate deaminase-like protein	0.0031	0.0105	0.0071
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.0101	0.452	1
Trypanosoma cruzi	iron superoxide dismutase A, mitochondrial	0.0053	0.1474	0.1445
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0045	0.0963	0.1857
Schistosoma mansoni	tyrosine kinase	0.0051	0.133	0.2611
Onchocerca volvulus	Adenosine deaminase homolog	0.0095	0.4158	1
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.005	0.1306	0.2563
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0086	0.3579	0.7211
Mycobacterium ulcerans	adenosine deaminase	0.0095	0.4158	0.7849
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.0101	0.452	1
Leishmania major	iron superoxide dismutase, putative	0.0053	0.1474	0.1445
Schistosoma mansoni	superoxide dismutase [mn]	0.0053	0.1474	0.2909
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.0108	0.4923	1
Trypanosoma cruzi	iron superoxide dismutase, putative	0.0053	0.1474	0.1445
Trypanosoma brucei	GMP reductase	0.0108	0.4923	0.4905
Trypanosoma brucei	adenosine monophosphate deaminase, putative	0.0031	0.0105	0.0071
Trichomonas vaginalis	adenosine deaminase, putative	0.0095	0.4158	1
Trypanosoma brucei	AMP deaminase, putative	0.0031	0.0105	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2214	0.443
Schistosoma mansoni	AMP deaminase	0.0031	0.0105	0.0093
Entamoeba histolytica	adenosine deaminase, putative	0.0095	0.4158	1
Leishmania major	iron superoxide dismutase, putative	0.0053	0.1474	0.1445
Trypanosoma cruzi	AMP deaminase 2, putative	0.0031	0.0105	0.0071
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.0188	1	1
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0086	0.3579	0.727
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0108	0.4923	1
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.0108	0.4923	1
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0086	0.3579	0.7902
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0086	0.3579	0.3557
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0086	0.3579	0.7237
Echinococcus multilocularis	insulin receptor	0.003	0.006	0.0122
Echinococcus multilocularis	manganese superoxide dismutase	0.0053	0.1474	0.2995
Toxoplasma gondii	superoxide dismutase SOD3	0.0053	0.1474	0.2843
Trypanosoma brucei	iron superoxide dismutase A, mitochondrial	0.0053	0.1474	0.1445
Brugia malayi	Adenosine/AMP deaminase family protein	0.0095	0.4158	0.8427
Echinococcus granulosus	AMP deaminase 2	0.0031	0.0105	0.0093
Loa Loa (eye worm)	AMP deaminase	0.0031	0.0105	0.0093
Echinococcus multilocularis	adenosine deaminase	0.0095	0.4158	0.8446
Echinococcus granulosus	manganese superoxide dismutase	0.0053	0.1474	0.2909
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0086	0.3579	0.7237
Trypanosoma cruzi	iron superoxide dismutase A, mitochondrial	0.0053	0.1474	0.1445
Echinococcus multilocularis	glycyl tRNA synthetase	0.005	0.1306	0.2653
Plasmodium vivax	adenosine/AMP deaminase, putative	0.0031	0.0105	0.0158
Trypanosoma brucei	AMP deaminase, putative	0.0031	0.0105	0.0071
Loa Loa (eye worm)	multisynthetase complex auxiliary component p43	0.0054	0.1567	0.3098
Mycobacterium ulcerans	superoxide dismutase [Fe] SodA	0.0053	0.1474	0.0307
Brugia malayi	GMP reductase	0.0045	0.0963	0.1857
Toxoplasma gondii	superoxide dismutase	0.0053	0.1474	0.2843
Plasmodium falciparum	AMP deaminase, putative	0.0031	0.0105	0.0158
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0086	0.3579	0.727
Onchocerca volvulus	Superoxide dismutase [Mn], mitochondrial homolog	0.0053	0.1474	0.3379
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0108	0.4923	0.4905
Onchocerca volvulus	Superoxide dismutase [Mn], mitochondrial homolog	0.0036	0.0418	0.0772
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.003	0.006	0.0122
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0095	0.4158	0.8412
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.0108	0.4923	1
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.0108	0.4923	1
Plasmodium falciparum	adenosine deaminase	0.0095	0.4158	0.9191
Leishmania major	iron superoxide dismutase	0.0053	0.1474	0.1445
Brugia malayi	Superoxide dismutase, mitochondrial precursor, putative	0.0053	0.1474	0.2909
Trichomonas vaginalis	adenosine deaminase, putative	0.0095	0.4158	1
Schistosoma mansoni	methionine-tRNA synthetase	0.0065	0.2214	0.443
Toxoplasma gondii	superoxide dismutase SOD2	0.0053	0.1474	0.2843
Trypanosoma brucei	iron superoxide dismutase	0.0053	0.1474	0.1445
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.0056	0.1705	0.0954
Mycobacterium tuberculosis	Probable adenosine deaminase Add (adenosine aminohydrolase)	0.0095	0.4158	0.7781
Echinococcus multilocularis	methionyl tRNA synthetase, cytoplasmic	0.0065	0.2214	0.4498
Echinococcus granulosus	methionyl tRNA synthetase cytoplasmic	0.0065	0.2214	0.443
Chlamydia trachomatis	methionine--tRNA ligase	0.0065	0.2214	1
Trypanosoma cruzi	adenosine monophosphate deaminase-like protein, putative	0.0031	0.0105	0.0071
Leishmania major	inosine-5-monophosphate dehydrogenase	0.0108	0.4923	0.4905
Onchocerca volvulus	Superoxide dismutase [Mn], mitochondrial homolog	0.0053	0.1474	0.3379
Schistosoma mansoni	tyrosine kinase	0.0051	0.133	0.2611
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0086	0.3579	0.3557
Toxoplasma gondii	IMP dehydrogenas	0.0108	0.4923	1
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0095	0.4133	0.8377
Echinococcus granulosus	epidermal growth factor receptor	0.0095	0.4133	0.8377
Trypanosoma cruzi	AMP deaminase, putative	0.0031	0.0105	0.0071
Brugia malayi	adenosine monophosphate deaminase	0.0031	0.0105	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0105	0.0093
Onchocerca volvulus	Putative GMP reductase	0.0045	0.0963	0.2117
Echinococcus multilocularis	AMP deaminase 2	0.0031	0.0105	0.0213
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0086	0.3579	0.3557
Loa Loa (eye worm)	PDE1B protein	0.0086	0.3579	0.7237
Entamoeba histolytica	iron-containing superoxide dismutase	0.0053	0.1474	0.3379
Plasmodium falciparum	superoxide dismutase [Fe]	0.0053	0.1474	0.3211
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1474	0.2909
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	0.0108	0.4923	0.4905
Schistosoma mansoni	tyrosine kinase	0.0095	0.4133	0.8377
Leishmania major	guanosine monophosphate reductase	0.0108	0.4923	0.4905
Trypanosoma cruzi	iron superoxide dismutase, putative	0.0036	0.0418	0.0385
Mycobacterium leprae	Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE)	0.0095	0.4158	0.7849
Leishmania major	adenine aminohydrolase	0.0095	0.4158	0.4138
Trypanosoma cruzi	GMP reductase	0.0108	0.4923	0.4905
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0051	0.1363	0.2681
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0095	0.4158	0.8412
Trypanosoma cruzi	AMP deaminase, putative	0.0031	0.0105	0.0071
Mycobacterium leprae	Probable superoxide dismutase SodA	0.0053	0.1474	0.0307
Trypanosoma brucei	iron superoxide dismutase	0.0053	0.1474	0.1445
Schistosoma mansoni	tyrosine kinase	0.0051	0.133	0.2611
Trypanosoma cruzi	iron superoxide dismutase, putative	0.0053	0.1474	0.1445
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.0108	0.4923	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.22	0.44
Trypanosoma cruzi	AMP deaminase, putative	0.0031	0.0105	0.0071
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0086	0.3579	0.7211
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0086	0.3579	0.3557
Trypanosoma cruzi	AMP deaminase, putative	0.0031	0.0105	0.0071
Trypanosoma cruzi	GMP reductase	0.0108	0.4923	0.4905
Schistosoma mansoni	tyrosine kinase	0.0051	0.1363	0.2681
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0056	0.1705	0.0667
Schistosoma mansoni	adenosine deaminase-related	0.0095	0.4158	0.8427
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0108	0.4923	0.4905
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0101	0.452	0.8869
Plasmodium vivax	adenosine deaminase, putative	0.0095	0.4158	0.9191
Loa Loa (eye worm)	IMP dehydrogenase 1	0.0108	0.4923	1
Echinococcus granulosus	adenosine deaminase	0.0095	0.4158	0.8427
Loa Loa (eye worm)	GMP reductase	0.0045	0.0963	0.1857
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.0188	1	1
Loa Loa (eye worm)	glycyl-tRNA synthetase	0.005	0.1306	0.2563
Trypanosoma cruzi	adenosine monophosphate deaminase, putative	0.0031	0.0105	0.0071
Schistosoma mansoni	glycyl-tRNA synthetase	0.005	0.1306	0.2563
Echinococcus granulosus	epidermal growth factor receptor	0.0051	0.1363	0.2681
Echinococcus multilocularis	epidermal growth factor receptor	0.0095	0.4133	0.8397
Brugia malayi	glycyl-tRNA synthetase	0.005	0.1306	0.2563
Leishmania major	AMP deaminase, putative,amp deaminase-like protein	0.0031	0.0105	0.0071
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.0108	0.4923	1
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0045	0.0963	0.1857
Schistosoma mansoni	tyrosine kinase	0.0051	0.1363	0.2681
Schistosoma mansoni	adenosine deaminase	0.0095	0.4158	0.8427
Leishmania major	hypothetical protein, conserved	0.0031	0.0105	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0095	0.4158	0.8427
Entamoeba histolytica	methionyl-tRNA synthetase, putative	0.0065	0.2214	0.5205
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0086	0.3579	0.7237
Loa Loa (eye worm)	hypothetical protein	0.0064	0.22	0.44
Trypanosoma brucei	AMP deaminase, putative	0.0031	0.0105	0.0071
Leishmania major	AMP deaminase, putative	0.0031	0.0105	0.0071
Leishmania major	adenosine monophosphate deaminase, putative,AMP deaminase, putative	0.0031	0.0105	0.0071
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.005	0.1306	0.2563
Trypanosoma cruzi	AMP deaminase, putative	0.0031	0.0105	0.0071
Echinococcus multilocularis	epidermal growth factor receptor	0.0051	0.1363	0.277
Brugia malayi	Furin-like cysteine rich region family protein	0.0095	0.4133	0.8377
Echinococcus granulosus	glycyl tRNA synthetase	0.005	0.1306	0.2563
Plasmodium vivax	superoxide dismutase [Fe], putative	0.0053	0.1474	0.3211
Treponema pallidum	adenosine deaminase	0.0095	0.4158	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.22	0.44
Trypanosoma cruzi	iron superoxide dismutase, putative	0.0053	0.1474	0.1445

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 909831