TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 299.391 | Formula: C16H17N3OS
H donors: 2 H acceptors: 1 LogP: 3.33 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCn1c(NC(=O)Nc2ccccc2C)cc2c1ccs2
InChi: 1S/C16H17N3OS/c1-3-19-13-8-9-21-14(13)10-15(19)18-16(20)17-12-7-5-4-6-11(12)2/h4-10H,3H2,1-2H3,(H2,17,18,20)
InChiKey: WJHRYXZEEYACQX-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
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0003	0.0045
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0038	0.0035	0.0056
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0038	0.0035	0.0032
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Schistosoma mansoni	hypothetical protein	0.0035	0.0031	0.0031
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0014	0.001
Brugia malayi	Zinc finger, C2H2 type family protein	0.2378	0.3888	0.3888
Schistosoma mansoni	hypothetical protein	0.0175	0.0262	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0031	0.0426
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.6091	1	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0014	0.001
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.2378	0.3888	1
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0034	0.0029	0.0015
Loa Loa (eye worm)	inositol-1	0.0038	0.0035	0.0482
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0014	0.001
Loa Loa (eye worm)	hypothetical protein	0.0461	0.0732	1
Echinococcus multilocularis	geminin	0.0175	0.0262	0.0673
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0035	0.0035
Brugia malayi	Inositol-1	0.0038	0.0035	0.0035
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0054	0.0061	0.0061
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0014	0.0012
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0014	0.001
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0014	0.001
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0037	0.0004
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.2378	0.3888	1
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0054	0.0061	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0057	0.0784
Echinococcus multilocularis	tumor protein p63	0.035	0.0549	0.1412
Echinococcus granulosus	inositol monophosphatase 1	0.0038	0.0035	0.0091
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.2378	0.3888	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0054	0.0061	0.0068
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.6091	1	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0014	0.001
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0037	0.0033
Mycobacterium ulcerans	putative regulatory protein	0.0039	0.0037	0.0033
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0054	0.0061	0.0068
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.6091	1	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.2378	0.3888	1
Brugia malayi	follicle stimulating hormone receptor	0.0237	0.0363	0.0363
Echinococcus granulosus	tumor protein p63	0.035	0.0549	0.1412
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0054	0.0061	0.0068
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.6091	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0014	0.0185
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0035	0.0022
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0476	0.0757	0.1946
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0014	0.0185
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0014	0.001
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0014	0.0185
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0054	0.0061	0.0068
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0014	0.001
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0054	0.0061	0.0068
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0054	0.0061	0.0068
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0037	0.0004
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0039	0.0037	0.0035
Echinococcus multilocularis	inositol monophosphatase 1	0.0038	0.0035	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0422	0.0668	0.913
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0039	0.0037	0.0033
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0054	0.0061	0.0061
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0476	0.0757	0.1946
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.6091	1	1
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.2378	0.3888	0.3867
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.2378	0.3888	1
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.6091	1	1
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0054	0.0061	0.0026
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0058	0.0058
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0003	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0061	0.0068
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.6091	1	1
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0039	0.0037	0.0035
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0237	0.0363	0.4959
Schistosoma mansoni	hypothetical protein	0.0175	0.0262	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0003	0.0045
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0014	0.0012
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0054	0.0061	0.0026
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0054	0.0061	0.0068
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0037	0.0004
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0003	0.0045
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0054	0.0061	0.0158
Plasmodium falciparum	GAF domain-related protein, putative	0.0039	0.0037	0.0033
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0014	0.0014
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0037	0.0023
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0058	0.0793
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0035	0.0035
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Toxoplasma gondii	hypothetical protein	0.0039	0.0037	0.0001
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.6091	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0014	0.0014
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0476	0.0757	0.0757
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0003	0.0045
Toxoplasma gondii	hypothetical protein	0.0039	0.0037	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0061	0.0838
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0037	0.0004
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0054	0.0061	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0058	0.0793
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0054	0.0061	0.0068
Leishmania major	dihydroorotate dehydrogenase	0.6091	1	1
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.6091	1	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0054	0.0061	0.0068
Onchocerca volvulus		0.0051	0.0057	1
Plasmodium falciparum	dihydroorotate dehydrogenase	0.6091	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0014	0.0014
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.2378	0.3888	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0034	0.0029	0.0027
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0054	0.0061	0.0068
Toxoplasma gondii	GAF domain-containing protein	0.0039	0.0037	0.0001
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0054	0.0061	0.0026
Schistosoma mansoni	dihydroorotate dehydrogenase	0.6091	1	1
Echinococcus granulosus	geminin	0.0175	0.0262	0.0673
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0054	0.0061	0.0068
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.2378	0.3888	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.2378	0.3888	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0031	0.0031
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.2378	0.3888	1
Mycobacterium ulcerans	putative regulatory protein	0.0039	0.0037	0.0033
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0003	0.0002
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0054	0.0061	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0003	0.0045
Toxoplasma gondii	hypothetical protein	0.0039	0.0037	0.0001
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0054	0.0061	0.0026
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.2378	0.3888	1
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.2378	0.3888	1
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.6091	1	1
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.0057	0.0057
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0054	0.0061	0.0158
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.6091	1	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0054	0.0061	0.0068

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 828367