TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 317.681 | Formula: C15H8ClNO5
H donors: 1 H acceptors: 3 LogP: 3.44 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C1Oc2c(O1)cc1c(c2Cl)onc1c1ccccc1
InChi: 1S/C15H8ClNO5/c16-10-12-8(6-9-13(10)21-15(20-9)14(18)19)11(17-22-12)7-4-2-1-3-5-7/h1-6,15H,(H,18,19)
InChiKey: HWTOZHZOZZCNSV-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
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.0691	1	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0082	0.0151
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.0125	0.0043
Echinococcus granulosus	nardilysin	0.0023	0.0108	0.0219
Echinococcus multilocularis	tar DNA binding protein	0.0209	0.2868	0.7598
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1134	0.1569
Trypanosoma cruzi	peptidase, putative	0.0023	0.0108	0.0066
Echinococcus multilocularis	dna polymerase kappa	0.0018	0.0042	0.0044
Echinococcus granulosus	lysosomal alpha glucosidase	0.0182	0.2463	0.6516
Schistosoma mansoni	insulysin unit 3 (M16 family)	0.0023	0.0108	0.0082
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.027	0.3766	1
Schistosoma mansoni	insulysin unit 3 (M16 family)	0.0023	0.0108	0.0082
Trypanosoma brucei	glucosidase, putative	0.004	0.0369	0.0328
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0277	0.3869	1
Leishmania major	alpha glucosidase II subunit, putative	0.004	0.0369	0.0328
Echinococcus granulosus	3'partial\|nardilysin	0.0023	0.0108	0.0219
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0479	0.1211
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.027	0.3766	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0182	0.2463	0.6516
Schistosoma mansoni	hypothetical protein	0.0037	0.0321	0.0296
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0479	0.1211
Schistosoma mansoni	hypothetical protein	0.0161	0.2147	0.2127
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.004	0.0369	0.0289
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0125	0.0043
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0758	0.0719
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0758	0.0734
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0479	0.1211
Brugia malayi	RNA recognition motif domain containing protein	0.0209	0.2868	0.2868
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.0691	1	1
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1134	0.1569
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0758	0.0719
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0369	0.0853
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.0369	0.0853
Brugia malayi	RNA binding protein	0.0209	0.2868	0.2868
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0067	0.0758	0.1958
Echinococcus granulosus	dna polymerase kappa	0.0018	0.0042	0.0044
Giardia lamblia	Fructose-bisphosphate aldolase	0.0277	0.3869	1
Brugia malayi	hypothetical protein	0.0024	0.0125	0.0125
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.027	0.3766	0.3739
Schistosoma mansoni	ap endonuclease	0.0021	0.0082	0.0057
Schistosoma mansoni	eyes absent homolog	0.0092	0.1134	0.111
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0125	0.0043
Echinococcus granulosus	insulin degrading enzyme	0.0023	0.0108	0.0219
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0369	0.0853
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.027	0.3766	1
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0691	1	1
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.0691	1	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0277	0.3869	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0067	0.0758	0.0681
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.027	0.3766	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0575	0.0575
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.027	0.3766	0.9729
Loa Loa (eye worm)	insulin-degrading enzyme	0.0023	0.0108	0.0116
Toxoplasma gondii	insulysin, putative	0.0022	0.0091	0.0009
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0369	0.0328
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0369	0.0853
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0575	0.0777
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0479	0.1211
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.0369	0.0853
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0125	0.0083
Schistosoma mansoni	tar DNA-binding protein	0.0209	0.2868	0.2849
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0082	0.004
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0018	0.0042	0.0044
Trichomonas vaginalis	maltase-glucoamylase, putative	0.004	0.0369	0.0853
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0369	0.0853
Brugia malayi	ImpB/MucB/SamB family protein	0.0018	0.0042	0.0042
Trypanosoma cruzi	peptidase, putative	0.0023	0.0108	0.0066
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0026	0.0026
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0018	0.0042	0.0016
Echinococcus multilocularis	nardilysin	0.0023	0.0108	0.0219
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0758	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0125	0.0141
Schistosoma mansoni	nardilysin (M16 family)	0.0023	0.0108	0.0082
Brugia malayi	Zinc finger, C2H2 type family protein	0.027	0.3766	0.3766
Loa Loa (eye worm)	runx1	0.0062	0.069	0.094
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0067	0.0758	0.0719
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.0691	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0277	0.3869	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0479	0.0454
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0321	0.0418
Treponema pallidum	fructose-bisphosphate aldolase	0.0277	0.3869	1
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0691	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0277	0.3869	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0082	0.008
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0277	0.3869	1
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.0691	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0125	0.0083
Leishmania major	hypothetical protein, conserved	0.0024	0.0125	0.0083
Echinococcus granulosus	geminin	0.0161	0.2147	0.5673
Loa Loa (eye worm)	RNA binding protein	0.0209	0.2868	0.4024
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.027	0.3766	0.9729
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0575	0.0575
Loa Loa (eye worm)	TAR-binding protein	0.0209	0.2868	0.4024
Loa Loa (eye worm)	hypothetical protein	0.0494	0.7087	1
Schistosoma mansoni	tar DNA-binding protein	0.0209	0.2868	0.2849
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.0082	0.0105
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0369	0.0328
Trichomonas vaginalis	sucrase-isomaltase, putative	0.004	0.0369	0.0853
Echinococcus granulosus	neutral alpha glucosidase AB	0.004	0.0369	0.0917
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0277	0.3869	1
Echinococcus multilocularis	Protein lozenge	0.0062	0.069	0.1774
Brugia malayi	insulin-degrading enzyme	0.0023	0.0108	0.0108
Leishmania major	phosphoglycan beta 1,3 galactosyltransferase 5	0.0023	0.0108	0.0066
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0479	0.0479
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0277	0.3869	1
Schistosoma mansoni	lozenge	0.0062	0.069	0.0665
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0067	0.0758	0.1958
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.0369	0.0853
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0135	0.1773	0.1738
Brugia malayi	hypothetical protein	0.0092	0.1134	0.1134
Leishmania major	dihydroorotate dehydrogenase	0.0691	1	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0082	0.004
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0082	0.0151
Onchocerca volvulus		0.0494	0.7087	1
Schistosoma mansoni	ap endonuclease	0.0021	0.0082	0.0057
Brugia malayi	TAR-binding protein	0.0209	0.2868	0.2868
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0691	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0479	0.0454
Schistosoma mansoni	dihydroorotate dehydrogenase	0.0691	1	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0018	0.0042	0.0016
Trypanosoma brucei	peptidase, putative	0.0023	0.0108	0.0066
Echinococcus multilocularis	neutral alpha glucosidase AB	0.004	0.0369	0.0917
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0277	0.3869	1
Schistosoma mansoni	nardilysin (M16 family)	0.0023	0.0108	0.0082
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.027	0.3766	0.9729
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0082	0.004
Echinococcus multilocularis	nardilysin	0.0023	0.0108	0.0219
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0018	0.0042	0.0044
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0209	0.2868	0.4024
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0125	0.0043
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0082	0.0105
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0758	0.0734
Schistosoma mansoni	alpha-glucosidase	0.0157	0.2088	0.2067
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.0369	0.0853
Plasmodium falciparum	dihydroorotate dehydrogenase	0.0691	1	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0018	0.0042	0.0023
Schistosoma mansoni	tar DNA-binding protein	0.0209	0.2868	0.2849
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0479	0.0454
Schistosoma mansoni	hypothetical protein	0.0161	0.2147	0.2127
Toxoplasma gondii	sporozoite developmental protein	0.0023	0.0108	0.0025
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.027	0.3766	0.9729
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0082	0.004
Chlamydia trachomatis	insulinase family protease III	0.0023	0.0108	0.5
Echinococcus multilocularis	insulin degrading enzyme	0.0023	0.0108	0.0219
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.027	0.3766	0.9729
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0182	0.2463	0.6516
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0691	1	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.004	0.0369	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0575	0.0777
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0125	0.0083
Schistosoma mansoni	tar DNA-binding protein	0.0209	0.2868	0.2849
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0082	0.0105
Schistosoma mansoni	tar DNA-binding protein	0.0209	0.2868	0.2849
Brugia malayi	hypothetical protein	0.0494	0.7087	0.7087
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.0082	0.0105
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.004	0.0369	0.0486
Brugia malayi	ImpB/MucB/SamB family protein	0.0018	0.0042	0.0042
Echinococcus granulosus	tar DNA binding protein	0.0209	0.2868	0.7598
Echinococcus multilocularis	dna polymerase eta	0.0018	0.0042	0.0044
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0277	0.3869	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0135	0.1773	0.1738
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.027	0.3766	0.9729
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.0691	1	1
Schistosoma mansoni	alpha glucosidase	0.004	0.0369	0.0344
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0067	0.0758	0.0719
Echinococcus granulosus	dna polymerase eta	0.0018	0.0042	0.0044
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0321	0.0321
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0082	0.004
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0277	0.3869	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0042	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0494	0.7087	1
Schistosoma mansoni	DNA polymerase eta	0.0018	0.0042	0.0016
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0082	0.0082
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.0691	1	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0182	0.2463	0.2463
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.0369	0.0853
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0182	0.2463	0.3451
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.027	0.3766	0.9729
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0021	0.0082	0.004
Toxoplasma gondii	rhoptry metalloprotease toxolysin TLN1	0.0023	0.0108	0.0025
Echinococcus multilocularis	geminin	0.0161	0.2147	0.5673
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0479	0.0641
Schistosoma mansoni	alpha-glucosidase	0.0157	0.2088	0.2067

Activities

Activity type	Activity value	Assay description	Source	Reference
Relative activity (functional)	= 450 %	Diuretic activity after peroral administration of 100 mg/Kg in rats	ChEMBL.	1895290

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

No external resources registered for this compound

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 149770