TDR Targets

Basic information

Technical information

TDR Targets ID: 1869923
Name: (9S)-9-(2,1,3-benzothiadiazol-6-yl)-1,1-dioxo -3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinol in-8-one
MW: 373.449 | Formula: C17H15N3O3S2
H donors: 1 H acceptors: 5 LogP: 1.36 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1CCCC2=C1[C@H](c1ccc3c(c1)nsn3)C1=C(N2)CCS1(=O)=O
InChi: 1S/C17H15N3O3S2/c21-14-3-1-2-11-16(14)15(17-12(18-11)6-7-25(17,22)23)9-4-5-10-13(8-9)20-24-19-10/h4-5,8,15,18H,1-3,6-7H2/t15-/m0/s1
InChiKey: GIQURAIMHWBKJH-HNNXBMFYSA-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

(9S)-1,1-diketo-9-piazthiol-5-yl-3,4,5,6,7,9-hexahydro-2H-thieno[3,2-b]quinolin-8-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	potassium inwardly-rectifying channel, subfamily J, member 11	Starlite/ChEMBL	References

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 falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0698	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.1416	0.1416
Schistosoma mansoni	cpg binding protein	0.0032	0.1159	0.4363
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.1416	0.9717
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1416	0.3444
Loa Loa (eye worm)	hypothetical protein	0.0102	0.4112	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1416	0.3444
Loa Loa (eye worm)	hypothetical protein	0.0102	0.4112	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0698	0.4791
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.1457	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1416	0.3444
Mycobacterium ulcerans	lipase LipD	0.0038	0.1416	0.9457
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.1159	0.2819
Onchocerca volvulus		0.0038	0.1416	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0521	0.3576
Loa Loa (eye worm)	hypothetical protein	0.0102	0.4112	1
Mycobacterium tuberculosis	Conserved protein	0.0038	0.1416	0.1416
Loa Loa (eye worm)	hypothetical protein	0.0052	0.2029	0.4934
Toxoplasma gondii	hypothetical protein	0.0102	0.4112	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.1457	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.2029	0.4934
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0698	0.3441
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0126	0.0865
Echinococcus granulosus	GPCR family 2	0.0017	0.0521	0.3576
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.0698	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.1457	1
Brugia malayi	beta-lactamase family protein	0.0038	0.1416	0.6981
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0521	0.3576
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0237	0.0576
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.1416	0.1416
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1331	0.3237
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0126	0.0865
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0698	0.4791
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.1457	1
Loa Loa (eye worm)	inositol-1	0.0039	0.1457	0.3544
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.2029	1
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.1457	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0126	0.0865
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1416	0.3444
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.1457	0.3544
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.1416	0.3444
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.1457	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.1416	0.533
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.1416	0.1416
Loa Loa (eye worm)	beta-lactamase	0.0038	0.1416	0.3444
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0126	0.0865
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.1457	1
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0039	0.1457	1
Trichomonas vaginalis	esterase, putative	0.0038	0.1416	0.9717
Mycobacterium ulcerans	beta-lactamase	0.0038	0.1416	0.9457
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0102	0.4112	1
Leishmania major	hypothetical protein, conserved	0.0038	0.1416	0.9717
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0126	0.0865
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0067	0.2657	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0126	0.0865
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0155	0.1065
Onchocerca volvulus		0.0038	0.1416	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.1416	0.1416
Mycobacterium tuberculosis	Conserved protein	0.0038	0.1416	0.1416
Mycobacterium ulcerans	hypothetical protein	0.0038	0.1416	0.9457
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0231	0.1141
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0155	0.1065
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0237	0.1624
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.1331	0.6561
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.1416	0.1416
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.1416	0.9717
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0521	0.2569
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0698	0.4791
Echinococcus granulosus	cpg binding protein	0.0034	0.1235	0.8477
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0521	0.3576
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.1416	1
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0521	0.2569
Mycobacterium leprae	Probable lipase LipE	0.0038	0.1416	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0698	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1416	0.3444
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.1416	0.9717
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0698	0.1698
Brugia malayi	beta-lactamase family protein	0.0038	0.1416	0.6981
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0698	0.0698
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0126	0.0865
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0126	0.0865
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0155	0.0584
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.1416	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.1416	0.9717
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.1416	0.9717
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0126	0.0865
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.1416	0.9457
Schistosoma mansoni	hypothetical protein	0.0017	0.0521	0.1962
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0521	0.3576
Mycobacterium tuberculosis	Conserved protein	0.0038	0.1416	0.1416
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0126	0.0865
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.1457	1
Brugia malayi	beta-lactamase	0.0038	0.1416	0.6981
Trichomonas vaginalis	helicase, putative	0.0007	0.0126	0.0865
Toxoplasma gondii	exonuclease III APE	0.0021	0.0698	0.1698
Toxoplasma gondii	histone lysine methyltransferase SET1	0.006	0.2354	0.5725
Brugia malayi	Inositol-1	0.0039	0.1457	0.7184
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0698	0.493
Onchocerca volvulus		0.0038	0.1416	1
Toxoplasma gondii	ABC1 family protein	0.0038	0.1416	0.3444
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1416	0.3444
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0126	0.0865
Schistosoma mansoni	ap endonuclease	0.0021	0.0698	0.2628
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.1416	0.9457
Schistosoma mansoni	cpg binding protein	0.0034	0.1235	0.465
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0126	0.0865
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.1416	0.9717
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.1416	0.1416
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0698	0.4791
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.0015	0.0056
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0035	0.1286	0.1286
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0698	0.4791
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0521	0.1267
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0126	0.0865
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.2029	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0698	0.4791
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0521	0.3576
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.1457	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0126	0.0865
Schistosoma mansoni	hypothetical protein	0.0036	0.1331	0.5009
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.1416	0.1416
Onchocerca volvulus		0.0032	0.1159	0.8186
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0237	0.1624
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0521	0.1267
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.1416	0.9717
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0126	0.0865
Echinococcus multilocularis	cpg binding protein	0.0034	0.1235	0.8477
Schistosoma mansoni	hypothetical protein	0.0017	0.0521	0.1962
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.0698	0.4791
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.1416	0.9717
Schistosoma mansoni	inositol monophosphatase	0.0039	0.1457	0.5485
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0155	0.1065
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0155	0.1065
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0698	0.4791
Schistosoma mansoni	ap endonuclease	0.0021	0.0698	0.2628
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0039	0.1457	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.1457	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0521	0.1962
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.1416	0.533
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.1416	0.9717
Brugia malayi	CXXC zinc finger family protein	0.0032	0.1159	0.5714
Schistosoma mansoni	inositol monophosphatase	0.0039	0.1457	0.5485
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0698	0.4791
Schistosoma mansoni	cpg binding protein	0.0034	0.1235	0.465
Schistosoma mansoni	hypothetical protein	0.0017	0.0521	0.1962
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0126	0.0865
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.1416	0.9717
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0126	0.0865
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.1416	0.6981

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= -5.62	Evaluated for K-ATP activity in terms of change in membrane potential through guinea pig bladder assay	ChEMBL.	15163196

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: CHEMBL3138556

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 1869923