TDR Targets

Basic information

Technical information

TDR Targets ID: 910789
Name: BAS 00609371
MW: 372.504 | Formula: C19H20N2O2S2
H donors: 0 H acceptors: 1 LogP: 4.1 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CC(OC3)(C)C
InChi: 1S/C19H20N2O2S2/c1-4-24-18-20-16-15(13-10-19(2,3)23-11-14(13)25-16)17(22)21(18)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3
InChiKey: QVXRMPDDTGLIFT-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

AG-690/37054010
STOCK1S-20206
EU-0041904
IDI1_002313
ChemDiv2_003598
ZINC00663109

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
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Schistosoma mansoni	hypothetical protein	0.0098	0.0013	0.0013
Trichomonas vaginalis	conserved hypothetical protein	0.0098	0.0014	0.0026
Echinococcus multilocularis	neuropeptide receptor	0.0403	0.0671	0.0862
Trichomonas vaginalis	WD repeat domain, putative	0.014	0.0104	0.0189
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0325	0.0503	0.0503
Brugia malayi	celfurPC protein	0.3706	0.7787	0.7787
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0307	0.0464	0.0464
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1352	0.2716	0.4927
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Trichomonas vaginalis	conserved hypothetical protein	0.1027	0.2016	0.3656
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Echinococcus multilocularis	G protein coupled receptor 139	0.0403	0.0671	0.0862
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Mycobacterium tuberculosis	Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like)	0.0227	0.0292	0.5
Echinococcus granulosus	neuropeptide receptor	0.0403	0.0671	0.0671
Entamoeba histolytica	tubulin family protein	0.0092	0	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Brugia malayi	Kringle domain containing protein	0.0098	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.2181	0.4502	0.4502
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Entamoeba histolytica	tubulin family protein	0.0092	0	0.5
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.4733	1	1
Mycobacterium tuberculosis	Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5)	0.0227	0.0292	0.5
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.1125	0.2227	0.404
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.265	0.5513	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0293	0.0434	0.0434
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0307	0.0464	0.0596
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1352	0.2716	0.4927
Leishmania major	subtilisin-like serine peptidase	0.0227	0.0292	1
Trichomonas vaginalis	conserved hypothetical protein	0.1027	0.2016	0.3656
Trichomonas vaginalis	conserved hypothetical protein	0.1027	0.2016	0.3656
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.265	0.5513	0.7079
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.0292	0.0529
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Toxoplasma gondii	subtilisin SUB6	0.0227	0.0292	0.8195
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Echinococcus granulosus	neuropeptide FF receptor 2	0.0307	0.0464	0.0464
Loa Loa (eye worm)	WD40 repeat protein	0.014	0.0104	0.0104
Schistosoma mansoni	neuropeptide receptor	0.0403	0.0671	0.0671
Toxoplasma gondii	subtilisin SUB5	0.0227	0.0292	0.8195
Echinococcus multilocularis	epidermal growth factor receptor	0.0515	0.0913	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0013	0.0013
Onchocerca volvulus		0.0293	0.0434	1
Plasmodium vivax	subtilisin-like serine protease, putative	0.0227	0.0292	1
Trichomonas vaginalis	conserved hypothetical protein	0.1027	0.2016	0.3656
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3)	0.0227	0.0292	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Plasmodium falciparum	subtilisin-like protease 1	0.0227	0.0292	1
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.0292	0.0529
Giardia lamblia	High cysteine membrane protein Group 2	0.1396	0.2811	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Plasmodium falciparum	cysteine repeat modular protein 1	0.0098	0.0013	0.0462
Toxoplasma gondii	subtilisin SUB1	0.0227	0.0292	0.8195
Echinococcus granulosus	tissue type plasminogen activator	0.0098	0.0013	0.0013
Toxoplasma gondii	subtilisin SUB12	0.0257	0.0356	1
Brugia malayi	Will die slowly protein	0.014	0.0104	0.0104
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.0227	0.0292	0.0292
Plasmodium falciparum	subtilisin-like protease 2	0.0227	0.0292	1
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.0227	0.0292	0.0374
Toxoplasma gondii	subtilisin SUB10	0.0227	0.0292	0.8195
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.0227	0.0292	0.0292
Plasmodium falciparum	subtilisin-like protease 3	0.0227	0.0292	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Mycobacterium ulcerans	membrane-anchored mycosin MycP3	0.0227	0.0292	0.5
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0227	0.0292	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Echinococcus granulosus	membrane bound transcription factor site 1	0.0227	0.0292	0.0292
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1352	0.2716	0.4927
Toxoplasma gondii	subtilisin SUB9	0.0227	0.0292	0.8195
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.0292	0.0529
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0227	0.0292	0.0292
Giardia lamblia	Furin precursor putative serine protease	0.1125	0.2227	0.7924
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0227	0.0292	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Trichomonas vaginalis	conserved hypothetical protein	0.1027	0.2016	0.3656
Brugia malayi	Protein kinase domain containing protein	0.0098	0.0013	0.0013
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Trypanosoma brucei	subtilisin peptidase	0.0227	0.0292	1
Onchocerca volvulus		0.014	0.0104	0.216
Trypanosoma cruzi	hypothetical protein, conserved	0.0098	0.0013	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0227	0.0292	0.0292
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.265	0.5513	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Loa Loa (eye worm)	endoprotease bli-4	0.4733	1	1
Onchocerca volvulus		0.0259	0.036	0.8252
Brugia malayi	Subtilase family protein	0.0227	0.0292	0.0292
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0293	0.0434	0.0434
Loa Loa (eye worm)	TK/ROR protein kinase	0.0098	0.0013	0.0013
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0227	0.0292	0.0292
Schistosoma mansoni	furin-1 (S08 family)	0.231	0.4779	0.4779
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.0292	0.0529
Toxoplasma gondii	kringle domain-containing protein	0.0098	0.0013	0.0379
Toxoplasma gondii	subtilisin SUB4	0.0227	0.0292	0.8195
Toxoplasma gondii	subtilisin SUB7	0.0227	0.0292	0.8195
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.1027	0.2016	0.3656
Plasmodium vivax	subtilisin-like protease 2, putative	0.0227	0.0292	1
Loa Loa (eye worm)	proprotein convertase 2	0.1352	0.2716	0.2716
Echinococcus multilocularis	protein will die slowly	0.014	0.0104	0.0134
Toxoplasma gondii	subtilisin SUB2	0.0227	0.0292	0.8195
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.265	0.5513	0.5513
Loa Loa (eye worm)	hypothetical protein	0.0293	0.0434	0.0434
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.1125	0.2227	0.404
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Brugia malayi	neuroendocrine convertase 1 precursor	0.4056	0.8542	0.8542
Schistosoma mansoni	tyrosine kinase	0.0515	0.0913	0.0913
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0325	0.0503	0.0913
Echinococcus granulosus	epidermal growth factor receptor	0.0515	0.0913	0.0913
Echinococcus granulosus	neuroendocrine convertase 2	0.3435	0.7204	0.7204
Loa Loa (eye worm)	hypothetical protein	0.4733	1	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1352	0.2716	0.4927
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0098	0.0013	0.0462
Onchocerca volvulus		0.0098	0.0015	0.0028
Trichomonas vaginalis	conserved hypothetical protein	0.1027	0.2016	0.3656
Echinococcus multilocularis	neuroendocrine convertase 2	0.3435	0.7204	0.9251
Echinococcus multilocularis	Furin 1	0.1352	0.2716	0.3488
Trichomonas vaginalis	conserved hypothetical protein	0.1027	0.2016	0.3656
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0293	0.0434	0.0434
Brugia malayi	proprotein convertase 2	0.3435	0.7204	0.7204
Trichomonas vaginalis	conserved hypothetical protein	0.1027	0.2016	0.3656
Trypanosoma cruzi	serine peptidase, clan SB, family S8-like protein	0.0227	0.0292	1
Brugia malayi	Trypsin family protein	0.0293	0.0434	0.0434
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Onchocerca volvulus		0.0227	0.0292	0.6617
Mycobacterium leprae	PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5)	0.0227	0.0292	0.5
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4)	0.0227	0.0292	0.5
Brugia malayi	Membrane-bound transcription factor site-1 protease precursor	0.0227	0.0292	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0307	0.0464	0.0464
Toxoplasma gondii	subtilisin SUB11	0.0227	0.0292	0.8195
Trichomonas vaginalis	hypothetical protein	0.1027	0.2016	0.3656
Trichomonas vaginalis	conserved hypothetical protein	0.1027	0.2016	0.3656
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Mycobacterium leprae	PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3)	0.0227	0.0292	0.5
Echinococcus granulosus	Furin 1	0.1352	0.2716	0.2716
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0227	0.0292	0.0529
Leishmania major	hypothetical protein, conserved	0.0098	0.0013	0.0462
Mycobacterium ulcerans	proline rich membrane-anchored mycosin MycP5	0.0227	0.0292	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.0292	0.0529
Trichomonas vaginalis	conserved hypothetical protein	0.1027	0.2016	0.3656
Mycobacterium ulcerans	membrane-anchored serine protease (mycosin), MycP4	0.0227	0.0292	0.5
Schistosoma mansoni	hypothetical protein	0.1027	0.2016	0.2016
Echinococcus granulosus	protein will die slowly	0.014	0.0104	0.0104
Trypanosoma cruzi	subtilisin peptidase	0.0227	0.0292	1
Plasmodium vivax	subtilisin-like protease 1	0.0227	0.0292	1
Brugia malayi	Hypothetical subtilase-type proteinase F21H12.6 in chromosome II	0.0227	0.0292	0.0292
Echinococcus multilocularis	membrane bound transcription factor site 1	0.0227	0.0292	0.0374
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1352	0.2716	0.4927
Echinococcus granulosus	furin	0.4733	1	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1352	0.2716	0.4927
Trypanosoma brucei	serine peptidase, clan SB, family S8-like protein	0.0227	0.0292	1
Echinococcus multilocularis	tissue type plasminogen activator	0.0098	0.0013	0.0017
Brugia malayi	Furin-like cysteine rich region family protein	0.0515	0.0913	0.0913
Loa Loa (eye worm)	subtilase	0.0227	0.0292	0.0292
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0515	0.0913	0.0913
Trichomonas vaginalis	conserved hypothetical protein	0.1027	0.2016	0.3656
Toxoplasma gondii	subtilisin SUB8	0.0227	0.0292	0.8195
Loa Loa (eye worm)	hypothetical protein	0.0719	0.1353	0.1353
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.1352	0.2716	0.2716
Echinococcus multilocularis		0.3706	0.7787	1
Schistosoma mansoni	hypothetical protein	0.014	0.0104	0.0104
Mycobacterium leprae	Possible secreted protease	0.0227	0.0292	0.5

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 910789