TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 272.326 | Formula: C13H12N4OS
H donors: 1 H acceptors: 1 LogP: 2.57 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nn(c(c1)c1ccccc1)Cc1n[nH]c(=S)o1
InChi: 1S/C13H12N4OS/c1-9-7-11(10-5-3-2-4-6-10)17(16-9)8-12-14-15-13(19)18-12/h2-7H,8H2,1H3,(H,15,19)
InChiKey: QSCHLHZXPRQPSR-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	carbonic anhydrase	0.0044	0.0369	0.066
Echinococcus multilocularis	carbonic anhydrase	0.0044	0.0369	0.0315
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0135	0.1541	0.4157
Echinococcus granulosus	carbonic anhydrase II	0.0194	0.2316	0.4759
Plasmodium falciparum	peptidase, putative	0.0056	0.0526	1
Loa Loa (eye worm)	calpain family protein 1	0.0039	0.0305	0.0523
Echinococcus granulosus	prolyl endopeptidase	0.0295	0.3627	0.7519
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0194	0.2316	0.482
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0239	0.2896	1
Brugia malayi	hypothetical protein	0.022	0.265	0.5514
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.0056	0.0526	0.1177
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0044	0.0369	0.0769
Trypanosoma cruzi	oligopeptidase b	0.0135	0.1541	0.4157
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0056	0.0526	1
Brugia malayi	MH2 domain containing protein	0.0119	0.1337	0.2783
Trypanosoma cruzi	hypothetical protein, conserved	0.0056	0.0526	0.1317
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0194	0.2316	0.6329
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0056	0.0519	0.0974
Trypanosoma brucei	carbonic anhydrase-like protein	0.0194	0.2316	0.6329
Echinococcus granulosus	geminin	0.0169	0.1984	0.406
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0386	0.4806	1
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0148	0.1721	0.4661
Brugia malayi	prolyl oligopeptidase family protein	0.0148	0.1721	0.358
Schistosoma mansoni	hypothetical protein	0.0169	0.1984	0.406
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0386	0.4806	1
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0056	0.0526	0.099
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0989	0.1964
Brugia malayi	calpain family protein 1	0.0053	0.0487	0.1014
Echinococcus multilocularis	carbonic anhydrase	0.0044	0.0369	0.0315
Echinococcus granulosus	carbonic anhydrase	0.0044	0.0369	0.066
Trypanosoma cruzi	prolyl endopeptidase	0.0295	0.3627	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0409	0.0743
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0295	0.3627	0.7427
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0386	0.4806	0.4776
Loa Loa (eye worm)	hypothetical protein	0.0295	0.3627	0.7519
Brugia malayi	hypothetical protein	0.0092	0.0989	0.2058
Loa Loa (eye worm)	prolyl oligopeptidase	0.0386	0.4806	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0044	0.0369	0.0769
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0374	0.032
Echinococcus granulosus	carbonic anhydrase	0.0044	0.0369	0.066
Schistosoma mansoni	hypothetical protein	0.0169	0.1984	0.406
Echinococcus granulosus	calpain A	0.0056	0.0519	0.0974
Echinococcus multilocularis	calpain A	0.0056	0.0519	0.0465
Schistosoma mansoni	carbonic anhydrase-related	0.0044	0.0369	0.066
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0044	0.0369	0.066
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0148	0.1721	0.4661
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0487	0.0908
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0056	0.0526	0.5
Plasmodium falciparum	carbonic anhydrase	0.0044	0.0369	0.6207
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0194	0.2316	0.4759
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0369	0.066
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0056	0.0526	1
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0135	0.1541	0.5
Brugia malayi	prolyl oligopeptidase family protein	0.0386	0.4806	1
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0056	0.0519	0.0465
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0148	0.1721	0.3505
Brugia malayi	sulfakinin receptor protein	0.022	0.265	0.5514
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0148	0.1721	0.1674
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0194	0.2316	0.4759
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0226	0.0358
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0056	0.0519	0.0974
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0148	0.1721	0.4661
Echinococcus granulosus	acylamino acid releasing enzyme	0.0056	0.0526	0.099
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0194	0.2316	0.482
Loa Loa (eye worm)	hypothetical protein	0.022	0.265	0.5462
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0148	0.1721	0.4661
Schistosoma mansoni	hypothetical protein	0.0044	0.0369	0.066
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0056	0.0526	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0526	0.099
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.1337	0.2698
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0135	0.1541	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0369	0.066
Echinococcus multilocularis	calpain family protein 1, d	0.0039	0.0305	0.025
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0386	0.4806	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0247	0.0403
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0056	0.0526	1
Brugia malayi	calpain 7	0.002	0.0056	0.0116
Echinococcus multilocularis	carbonic anhydrase II	0.0194	0.2316	0.2273
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0374	0.067
Schistosoma mansoni	hypothetical protein	0.0035	0.0247	0.0403
Trypanosoma cruzi	oligopeptidase b	0.0135	0.1541	0.4157
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0135	0.1541	0.4157
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0526	0.099
Loa Loa (eye worm)	calpain family protein 1	0.0053	0.0487	0.0908
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0295	0.3627	0.7519
Echinococcus multilocularis	prolyl endopeptidase	0.0295	0.3627	0.3591
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0053	0.0487	0.0908
Brugia malayi	hypothetical protein	0.0025	0.0113	0.0235
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0135	0.1541	0.4157
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0056	0.0526	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0374	0.0779
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0113	0.0159
Brugia malayi	prolyl oligopeptidase family protein	0.0056	0.0526	0.1095
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0056	0.0526	0.0473
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0148	0.1721	0.4575
Brugia malayi	hypothetical protein	0.0035	0.0247	0.0515
Entamoeba histolytica	hypothetical protein, conserved	0.0056	0.0526	1
Schistosoma mansoni	carbonic anhydrase	0.0044	0.0369	0.066
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0247	0.0403
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0374	0.067
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0247	0.0193
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0056	0.0526	0.5
Brugia malayi	prolyl oligopeptidase family protein	0.0056	0.0526	0.1095
Echinococcus multilocularis	geminin	0.0169	0.1984	0.1939
Brugia malayi	prolyl oligopeptidase family protein	0.0295	0.3627	0.7548
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0305	0.0523
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0044	0.0369	0.0769
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0135	0.1541	0.4157
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0374	0.067
Leishmania major	carbonic anhydrase-like protein	0.0194	0.2316	0.6329
Leishmania major	hypothetical protein, conserved	0.0025	0.0113	0.0159
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0135	0.1541	0.4157
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0526	0.5
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0056	0.0526	1
Plasmodium vivax	hypothetical protein, conserved	0.0056	0.0526	1
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0295	0.3627	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0056	0.0526	0.1317
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.1337	0.2698
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0194	0.2316	0.6329
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0374	0.067
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0194	0.2316	0.4759
Trypanosoma brucei	prolyl endopeptidase	0.0295	0.3627	1
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0056	0.0526	0.099
Brugia malayi	calpain family protein 1	0.0053	0.0487	0.1014
Toxoplasma gondii	hypothetical protein	0.0044	0.0369	0.073
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.0056	0.0526	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0113	0.1209
Leishmania major	oligopeptidase b	0.0135	0.1541	0.4157
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0113	0.0159
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0374	0.067
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0113	0.012
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0148	0.1721	0.3505
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0374	0.032
Schistosoma mansoni	carbonic anhydrase-related	0.0044	0.0369	0.066
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0056	0.0519	0.0974
Trypanosoma brucei	oligopeptidase b	0.0135	0.1541	0.4157
Loa Loa (eye worm)	prolyl oligopeptidase	0.0056	0.0526	0.099
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0113	0.0159
Loa Loa (eye worm)	carbonic anhydrase 3	0.0194	0.2316	0.4759
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0044	0.0369	0.0769
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0374	0.067
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0369	0.066
Toxoplasma gondii	prolyl endopeptidase	0.0295	0.3627	1
Echinococcus multilocularis	carbonic anhydrase	0.0044	0.0369	0.0315
Schistosoma mansoni	carbonic anhydrase-related	0.0044	0.0369	0.066
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0295	0.3627	0.7519
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0056	0.0526	0.1317
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0148	0.1721	0.4661
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0044	0.0369	0.0769
Toxoplasma gondii	hypothetical protein	0.0056	0.0526	0.1177

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: CHEMBL2261865

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 1838685