TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 368.406 | Formula: C19H16N2O4S
H donors: 5 H acceptors: 4 LogP: 2.48 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)/C=C/C1=C(C(=O)O)C(NC(=S)N1)c1ccc(cc1)O
InChi: 1S/C19H16N2O4S/c22-13-6-1-11(2-7-13)3-10-15-16(18(24)25)17(21-19(26)20-15)12-4-8-14(23)9-5-12/h1-10,17,22-23H,(H,24,25)(H2,20,21,26)/b10-3+
InChiKey: ACOSXDAQEQNHHE-XCVCLJGOSA-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
Plasmodium vivax	diacylglycerol kinase, putative	0.0042	0.0148	0.5
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.006	0.0318	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.006	0.0318	1
Entamoeba histolytica	hypothetical protein, conserved	0.1076	1	1
Trypanosoma cruzi	Sphingosine kinase	0.0042	0.0148	0.0626
Mycobacterium tuberculosis	Conserved protein	0.1076	1	1
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.0042	0.0148	0.0626
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0148	0.4653
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0041	0.0137	0.4296
Onchocerca volvulus	Ceramide kinase 1 homolog	0.0042	0.0148	0.5
Echinococcus granulosus	ceramide kinase	0.0042	0.0148	0.0148
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Loa Loa (eye worm)	eye-specific diacylglycerol kinase	0.0042	0.0148	0.0148
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.006	0.0318	1
Plasmodium falciparum	diacylglycerol kinase, putative	0.0042	0.0148	0.5
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Brugia malayi	hypothetical protein	0.0042	0.0148	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.006	0.0318	1
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.0248	0.7799
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.006	0.0318	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.006	0.0318	1
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.0042	0.0148	0.4653
Trichomonas vaginalis	bmru protein, putative	0.0042	0.0148	0.4653
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Echinococcus granulosus	Diacylglycerol kinase zeta	0.0042	0.0148	0.0148
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.006	0.0318	0.0318
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0148	0.0626
Echinococcus granulosus	Diacylglycerol kinase theta	0.0042	0.0148	0.0148
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Trichomonas vaginalis	sphingosine kinase, putative	0.0042	0.0148	0.4653
Mycobacterium ulcerans	hypothetical protein	0.1076	1	1
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Trichomonas vaginalis	conserved hypothetical protein	0.006	0.0318	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Trypanosoma cruzi	Diacylglycerol kinase catalytic domain containing protein, putative	0.0042	0.0148	0.0626
Brugia malayi	diacylglycerol kinase	0.0042	0.0148	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.006	0.0318	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.006	0.0318	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Toxoplasma gondii	hypothetical protein	0.0052	0.0248	1
Brugia malayi	Diacylglycerol kinase protein 2	0.0042	0.0148	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.006	0.0318	1
Echinococcus granulosus	acylglycerol kinase mitochondrial	0.0042	0.0148	0.0148
Trichomonas vaginalis	sphingosine kinase, putative	0.0042	0.0148	0.4653
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.006	0.0318	1
Echinococcus multilocularis	sphingosine kinase 1	0.1076	1	1
Brugia malayi	Eye-specific diacylglycerol kinase	0.0042	0.0148	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.006	0.0318	0.0318
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.006	0.0318	1
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.0042	0.0148	0.0148
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.006	0.0318	1
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.0248	0.7799
Schistosoma mansoni	hypothetical protein	0.0042	0.0148	0.0148
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.006	0.0318	1
Loa Loa (eye worm)	diacylglycerol kinase 2	0.0042	0.0148	0.0148
Trichomonas vaginalis	diacylglycerol kinase, epsilon, putative	0.0042	0.0148	0.4653
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.0248	0.7799
Trypanosoma cruzi	Sphingosine kinase	0.0042	0.0148	0.0626
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Trichomonas vaginalis	diacylglycerol kinase, putative	0.0042	0.0148	0.4653
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.0042	0.0148	0.4653
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.006	0.0318	1
Plasmodium falciparum	diacylglycerol kinase, putative	0.0042	0.0148	0.5
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.006	0.0318	1
Trichomonas vaginalis	bmru protein, putative	0.0042	0.0148	0.4653
Trypanosoma cruzi	diacylglycerol kinase, putative	0.0042	0.0148	0.0626
Schistosoma mansoni	diacylglycerol kinase zeta iota	0.0042	0.0148	0.0148
Echinococcus multilocularis	Diacylglycerol kinase zeta	0.0042	0.0148	0.0148
Schistosoma mansoni	diacylglycerol kinase theta	0.0042	0.0148	0.0148
Onchocerca volvulus		0.0042	0.0148	0.5
Plasmodium vivax	diacylglycerol kinase, putative	0.0042	0.0148	0.5
Echinococcus multilocularis	ceramide kinase	0.0042	0.0148	0.0148
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Loa Loa (eye worm)	ceramide kinase	0.0042	0.0148	0.0148
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0041	0.0137	0.4296
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.0042	0.0148	0.0626
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.006	0.0318	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.1076	1	1
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.006	0.0318	0.0318
Trypanosoma cruzi	diacylglycerol kinase, putative	0.0042	0.0148	0.0626
Schistosoma mansoni	sphingoid long chain base kinase	0.1076	1	1
Echinococcus multilocularis	acylglycerol kinase, mitochondrial	0.0042	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0148	0.0148
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.006	0.0318	1
Trichomonas vaginalis	diacylglycerol kinase, putative	0.0042	0.0148	0.4653
Schistosoma mansoni	sphingosine kinase A B	0.1076	1	1
Brugia malayi	diacylglycerol kinase	0.0042	0.0148	1
Schistosoma mansoni	diacylglycerol kinase theta	0.0042	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0148	0.0148
Brugia malayi	Ceramide kinase	0.0042	0.0148	1
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0042	0.0148	0.0148

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: CHEMBL2281620

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1805172