TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 274.292 | Formula: C14H10O4S
H donors: 1 H acceptors: 3 LogP: 2.91 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C1Oc2c(C1)cc(cc2)C(=O)c1cccs1
InChi: 1S/C14H10O4S/c15-13(12-2-1-5-19-12)8-3-4-10-9(6-8)7-11(18-10)14(16)17/h1-6,11H,7H2,(H,16,17)
InChiKey: CCURXWWOTBPTCM-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	phosphatidylinositol 45 bisphosphate 3 kinase	0.0404	0.2157	0.2076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0172	0.0657	0.6066
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0228	0.1016	0.2976
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0186	0.0747	0.7056
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0209	0.0899	0.8722
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0094	0.0154	0.057
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0092	0.0142	0.004
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0148	0.0504	0.1309
Loa Loa (eye worm)	phosphatidylinositol 3	0.0148	0.0504	0.1318
Loa Loa (eye worm)	phosphatidylinositol 3	0.0209	0.0899	0.2349
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0196	0.0513
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0191	0.0778	0.7392
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0037	0.0098
Trypanosoma cruzi	hypothetical protein, conserved	0.0561	0.3174	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0167	0.0626	0.5725
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0148	0.0504	0.44
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0124	0.0345	0.2655
Trypanosoma cruzi	target of rapamycin kinase 3	0.0191	0.0778	0.2201
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0209	0.0899	0.0805
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0037	0.0098
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0165	0.0611	0.5562
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0191	0.0778	0.0949
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0209	0.0899	0.2595
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0157	0.056	0.1228
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0101	0.0196	0.0252
Mycobacterium ulcerans	zinc metalloprotease	0.0101	0.0196	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0167	0.0626	0.5731
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0094	0.0154	0.014
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0172	0.0657	0.6066
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0037	0.0098
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0148	0.0504	0.5598
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0404	0.2157	1
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0662	0.3828	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0026	0.0068
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0094	0.0154	0.1696
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0086	0.0102	0.1115
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.1615	1	1
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0157	0.056	0.0462
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0186	0.0747	0.7056
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0176	0.0684	0.1562
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0167	0.0626	0.5731
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0191	0.0778	0.7392
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0148	0.0504	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0037	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0037	0.0098
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0228	0.1016	0.2976
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0167	0.0626	0.5725
Leishmania major	hypothetical protein, conserved	0.0594	0.339	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0209	0.0899	0.2595
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0148	0.0504	0.5598
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0186	0.0747	0.7056
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0148	0.0504	0.44
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0186	0.0747	0.7056
Schistosoma mansoni	hypothetical protein	0.0087	0.0107	0.0025
Toxoplasma gondii	peptidase family M13 protein	0.0101	0.0196	0.1459
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0186	0.0747	0.7056
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0148	0.0504	0.44
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0162	0.0422
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0129	0.0376	0.2991
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0037	0.0098
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0209	0.0899	0.8722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.0497	0.4322
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0191	0.0778	0.7392
Brugia malayi	Peptidase family M13 containing protein	0.0101	0.0196	0.0252
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0228	0.1016	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0209	0.0899	0.2139
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0094	0.0154	0.057
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0026	0.0068
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0191	0.0778	0.7392
Entamoeba histolytica	hypothetical protein	0.0187	0.0752	0.7106
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0094	0.0154	0.057
Echinococcus multilocularis	endothelin converting enzyme 1	0.0101	0.0196	0.0095
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0114	0.0283	0.3133
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0191	0.0778	0.7392
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0196	0.0513
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0209	0.0899	0.0805
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0094	0.0154	0.057
Loa Loa (eye worm)	hypothetical protein	0.0363	0.1893	0.4945
Loa Loa (eye worm)	hypothetical protein	0.0157	0.056	0.1463
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0124	0.0345	0.2655
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0094	0.0154	0.017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0148	0.0504	0.44
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0092	0.0142	0.004
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0102	0.0267
Brugia malayi	SH2 domain containing protein	0.0363	0.1893	0.4806
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0228	0.1016	0.2453
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0209	0.0899	0.8722
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0228	0.1016	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0116	0.0295	0.2114
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0209	0.0899	0.388
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0209	0.0899	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0138	0.0435	0.3641
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0209	0.0899	0.1369
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0194	0.08	0.7639
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0186	0.0747	0.7056
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0209	0.0899	0.1369
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0075	0.0026	0.0068
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0228	0.1016	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0026	0.0068
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0186	0.0747	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0209	0.0899	0.8722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0124	0.0345	0.2655
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0095	0.0162	0.0922
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0148	0.0504	0.1309
Mycobacterium leprae	probable zinc metalloprotease	0.0101	0.0196	0.5
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0094	0.0154	0.057
Giardia lamblia	GTOR	0.0209	0.0899	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0363	0.1893	0.4943
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0157	0.056	0.0462
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0186	0.0747	0.7056
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0094	0.0154	0.0254
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0101	0.0196	0.5
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0148	0.0504	0.0406
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0167	0.0626	0.5731
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0075	0.0026	0.0068
Brugia malayi	Angiotensin-converting enzyme family protein	0.0662	0.3828	1
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0101	0.0196	0.0458
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0228	0.1016	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0167	0.0626	0.5731
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0026	0.0068
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0148	0.0504	0.0406
Echinococcus multilocularis	expressed conserved protein	0.0087	0.0107	0.0005
Trichomonas vaginalis	conserved hypothetical protein	0.0095	0.0162	0.065
Echinococcus granulosus	expressed conserved protein	0.0087	0.0107	0.0005
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0124	0.0346	0.368
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0209	0.0899	1
Echinococcus granulosus	endothelin converting enzyme 1	0.0101	0.0196	0.0095
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0165	0.0611	0.5562
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0148	0.0504	0.1957
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0167	0.0626	0.5725
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0148	0.0504	0.44
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0187	0.0752	0.7106
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0404	0.2157	0.2076
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0196	0.0513
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0191	0.0778	0.865
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0209	0.0899	0.8722

Activities

Activity type	Activity value	Assay description	Source	Reference
Oral activity (functional)	= 4	Natriuretic activity in rats at 9 mg/kg of dosage; mequiv of Na	ChEMBL.	7277395
Oral activity (functional)	= 4	Compound was tested for diuretic activity in dogs at 5 mg/kg dose after intravenous administration measured as microequivalent of Na+/minute; 4/193 (Control/Drug treated)	ChEMBL.	7277395
Oral activity (functional)	= 4	Compound was tested for diuretic activity in dogs at 5 mg/kg dose after intravenous administration measured as microequivalent of K+/minute; 4/55 (Control/Drug treated)	ChEMBL.	7277395
Oral activity (functional)	= 6	Natriuretic activity in rats at 3 mg/kg of dosage; mequiv of Na	ChEMBL.	7277395
Oral activity (functional)	= 7	Natriuretic activity in rats at 27 mg/kg of dosage; mequiv of Na	ChEMBL.	7277395
Oral activity (functional)	= 7	Compound was tested for diuretic activity in dogs at 5 mg/kg dose after intravenous administration measured as microequivalent of Cl-/minute; 7/198 (Control/Drug treated)	ChEMBL.	7277395
Oral activity (functional)	= 22	Natriuretic activity in rats at 81 mg/kg of dosage; mequiv of Na	ChEMBL.	7277395
Urine volume (functional)	= 1 ml min-1	Compound was tested for diuretic activity in dogs at 5 mg/kg dose after intravenous administration, activity is expressed as urine volume; 1/6	ChEMBL.	7277395

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: CHEMBL167715

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 289704