TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 376.453 | Formula: C16H16N4O3S2
H donors: 1 H acceptors: 3 LogP: 2.69 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1noc(c1)C)CSCC(=O)N=c1sc2c(n1C)cccc2
InChi: 1S/C16H16N4O3S2/c1-10-7-13(19-23-10)17-14(21)8-24-9-15(22)18-16-20(2)11-5-3-4-6-12(11)25-16/h3-7H,8-9H2,1-2H3,(H,17,19,21)/b18-16-
InChiKey: COMOEJDMRRHIRA-VLGSPTGOSA-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 tuberculosis	Possible penicillin-binding protein	0.0247	0.7425	1
Leishmania major	phosphoglycerate kinase B, cytosolic	0.0183	0.5284	0.5284
Schistosoma mansoni	hypothetical protein	0.0031	0.0223	0.0249
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.274	0.274
Trypanosoma brucei	phosphoglycerate kinase	0.0067	0.143	0.143
Trypanosoma brucei	DNA polymerase IV, putative	0.0107	0.274	0.274
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0079	0.1828	0.346
Treponema pallidum	phosphoglycerate kinase	0.0183	0.5284	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0483	0.0483
Schistosoma mansoni	hypothetical protein	0.0031	0.0223	0.0249
Trypanosoma brucei	DNA polymerase kappa, putative	0.0053	0.0951	0.0951
Schistosoma mansoni	hypothetical protein	0.0165	0.4671	0.5204
Trypanosoma brucei	DNA polymerase IV, putative	0.0107	0.274	0.274
Trypanosoma cruzi	3-phosphoglycerate kinase, glycosomal	0.0067	0.143	0.143
Mycobacterium ulcerans	DNA polymerase IV	0.0107	0.274	0.3053
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.1416	0.1363
Trichomonas vaginalis	DNA polymerase eta, putative	0.0107	0.274	0.3005
Echinococcus granulosus	bloom syndrome protein	0.0049	0.0817	0.1174
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0483	0.0483
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0483	0.0514
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0483	0.0473
Brugia malayi	Phosphoglycerate kinase	0.0183	0.5284	0.5783
Loa Loa (eye worm)	hypothetical protein	0.0133	0.3617	0.3878
Mycobacterium ulcerans	DNA polymerase IV	0.0107	0.274	0.3053
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0483	0.0473
Trypanosoma cruzi	DNA polymerase eta, putative	0.0079	0.1828	0.1828
Mycobacterium tuberculosis	Probable phosphoglycerate kinase Pgk	0.0183	0.5284	0.6916
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0483	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0483	0.0297
Mycobacterium ulcerans	lipase LipD	0.0039	0.0483	0.0538
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0107	0.274	0.274
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0483	0.0914
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0046	0.0714	0.0714
Echinococcus multilocularis	dna polymerase eta	0.0133	0.3617	0.6706
Mycobacterium leprae	Probable phosphoglycerate kinase Pgk	0.0183	0.5284	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0154	0.4309	0.4309
Trypanosoma brucei	unspecified product	0.0099	0.2504	0.2504
Toxoplasma gondii	phosphoglycerate kinase PGKII	0.0183	0.5284	1
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0067	0.143	0.143
Mycobacterium ulcerans	hypothetical protein	0.0171	0.4886	0.5445
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.122	0.122
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0483	0.0297
Loa Loa (eye worm)	glutaminase 2	0.0294	0.8975	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0483	0.0514
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0067	0.143	0.143
Toxoplasma gondii	hypothetical protein	0.0052	0.0938	0.1775
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0707	0.0553
Leishmania major	DNA polymerase eta, putative	0.0133	0.3617	0.3617
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0067	0.143	0.143
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0183	0.5284	0.5284
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.2444	0.2538
Loa Loa (eye worm)	hypothetical protein	0.0175	0.501	0.547
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0183	0.5284	0.5859
Schistosoma mansoni	glutaminase	0.0294	0.8975	1
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0026	0.0062	0.0062
Brugia malayi	Bloom's syndrome protein homolog	0.0049	0.0817	0.0679
Loa Loa (eye worm)	hypothetical protein	0.0098	0.2444	0.2538
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0483	0.0538
Trypanosoma brucei	DNA polymerase eta, putative	0.0133	0.3617	0.3617
Brugia malayi	polk-prov protein	0.0053	0.0951	0.0832
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0046	0.0714	0.0714
Schistosoma mansoni	DNA polymerase eta	0.0133	0.3617	0.403
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.122	0.122
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0325	1	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0085	0.2024	0.222
Leishmania major	DNA polymerase eta, putative	0.0079	0.1828	0.1828
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.122	0.122
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0325	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0483	0.0538
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0046	0.0714	0.0714
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0183	0.5284	0.5284
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0078	0.1788	0.3306
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0707	0.0957
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0483	0.0297
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0078	0.1788	0.3093
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0483	0.0483
Trypanosoma brucei	phosphoglycerate kinase, putative	0.0067	0.143	0.143
Leishmania major	DNA polymerase kappa, putative	0.0085	0.2024	0.2024
Echinococcus granulosus	dna polymerase eta	0.0133	0.3617	0.6706
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0325	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0099	0.2504	0.2504
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0707	0.0788
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0483	0.0297
Toxoplasma gondii	phosphoglycerate kinase PGKI	0.0183	0.5284	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0223	0.0249
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0483	0.0297
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0175	0.501	0.5583
Schistosoma mansoni	phosphoglycerate kinase	0.0183	0.5284	0.5887
Loa Loa (eye worm)	hypothetical protein	0.0067	0.1416	0.1363
Plasmodium falciparum	phosphoglycerate kinase	0.0183	0.5284	1
Trypanosoma brucei	phosphoglycerate kinase	0.0183	0.5284	0.5284
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0043	0.062	0.1174
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0483	0.0297
Brugia malayi	ImpB/MucB/SamB family protein	0.0133	0.3617	0.3878
Schistosoma mansoni	hypothetical protein	0.0165	0.4671	0.5204
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0171	0.4886	0.6343
Brugia malayi	beta-lactamase family protein	0.0039	0.0483	0.0297
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.274	0.274
Plasmodium vivax	phosphoglycerate kinase, putative	0.0183	0.5284	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0483	0.0538
Mycobacterium ulcerans	phosphoglycerate kinase	0.0183	0.5284	0.5887
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0483	0.0473
Brugia malayi	ImpB/MucB/SamB family protein	0.0078	0.1788	0.1789
Echinococcus multilocularis	bloom syndrome protein	0.0049	0.0817	0.1174
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0107	0.274	0.274
Trypanosoma cruzi	DNA polymerase eta, putative	0.0133	0.3617	0.3617
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0707	0.0957
Schistosoma mansoni	hypothetical protein	0.0031	0.0223	0.0249
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.274	0.274
Brugia malayi	Pip kinase protein 2	0.0175	0.501	0.547
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0951	0.0832
Schistosoma mansoni	phosphoglycerate kinase	0.0183	0.5284	0.5887
Toxoplasma gondii	ABC1 family protein	0.0039	0.0483	0.0914
Entamoeba histolytica	phosphoglycerate kinase, putative	0.0183	0.5284	1
Echinococcus granulosus	dna polymerase kappa	0.0107	0.274	0.4973
Brugia malayi	beta-lactamase	0.0039	0.0483	0.0297
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.274	0.274
Echinococcus multilocularis	dna polymerase kappa	0.0107	0.274	0.4973
Loa Loa (eye worm)	glutaminase	0.0294	0.8975	1
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0026	0.0062	0.0062
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0483	0.0538
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0483	0.0297
Mycobacterium ulcerans	glutaminase	0.0294	0.8975	1
Leishmania major	hypothetical protein, conserved	0.0039	0.0483	0.0483
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0031	0.0236	0.0447
Leishmania major	phosphoglycerate kinase C, glycosomal	0.0183	0.5284	0.5284
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0707	0.0788
Echinococcus granulosus	geminin	0.0165	0.4671	0.8789
Schistosoma mansoni	hypothetical protein	0.0067	0.1416	0.1578
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0707	0.0957
Echinococcus granulosus	phosphoglycerate kinase 1	0.0183	0.5284	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0033	0.0279	0.0528
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0078	0.1788	0.188
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0107	0.274	0.274
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0078	0.1788	0.3093
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0154	0.4309	0.4309
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0483	0.0473
Trichomonas vaginalis	DNA helicase recq, putative	0.0049	0.0817	0.0848
Echinococcus multilocularis	geminin	0.0165	0.4671	0.8789
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0175	0.501	0.5583
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0107	0.274	0.274
Trypanosoma brucei	unspecified product	0.0054	0.0984	0.0984
Schistosoma mansoni	blooms syndrome DNA helicase	0.0039	0.0476	0.053
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.274	0.274
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.274	0.274
Trypanosoma brucei	DNA polymerase kappa, putative	0.0053	0.0951	0.0951
Chlamydia trachomatis	phosphoglycerate kinase	0.0183	0.5284	0.5
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0078	0.1788	0.1993
Giardia lamblia	DINP protein human, muc B family	0.0085	0.2024	0.3831
Onchocerca volvulus		0.0175	0.501	1
Echinococcus multilocularis	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0175	0.501	0.9459
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0483	0.0473
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0056	0.1047	0.1047
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0033	0.0292	0.0553
Trypanosoma brucei	DNA polymerase kappa, putative	0.0085	0.2024	0.2024
Echinococcus granulosus	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0175	0.501	0.9459
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0067	0.143	0.143
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0707	0.0788
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0085	0.2024	0.2024
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0067	0.143	0.143
Trichomonas vaginalis	DNA helicase recq1, putative	0.0049	0.0817	0.0848
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.2444	0.2538
Brugia malayi	beta-lactamase family protein	0.0039	0.0483	0.0297
Brugia malayi	glutaminase DH11.1	0.0294	0.8975	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0707	0.0957
Trypanosoma brucei	phosphoglycerate kinase	0.0183	0.5284	0.5284
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0078	0.1788	0.1789
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.274	0.274
Echinococcus multilocularis	phosphoglycerate kinase 1	0.0183	0.5284	1
Trypanosoma brucei	unspecified product	0.0054	0.0984	0.0984
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0483	0.0538
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.274	0.274
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0183	0.5284	0.5859
Trichomonas vaginalis	glutaminase, putative	0.0294	0.8975	1
Loa Loa (eye worm)	RecQ helicase	0.0049	0.0817	0.0679
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.2444	0.2538
Loa Loa (eye worm)	pip kinase 2	0.0175	0.501	0.547
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0154	0.4309	0.4309
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0026	0.0062	0.0062
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0707	0.0553
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0483	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0183	0.5284	0.5783
Giardia lamblia	Phosphoglycerate kinase	0.0183	0.5284	1
Brugia malayi	Phosphoglycerate kinase	0.0067	0.143	0.1379
Wolbachia endosymbiont of Brugia malayi	phosphoglycerate kinase	0.0183	0.5284	0.5
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0078	0.1788	0.1993
Trypanosoma brucei	DNA polymerase kappa, putative	0.0107	0.274	0.274
Trichomonas vaginalis	esterase, putative	0.0039	0.0483	0.0473
Loa Loa (eye worm)	hypothetical protein	0.0148	0.4127	0.4461
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0046	0.0714	0.0714
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0107	0.274	0.3005
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0483	0.0297

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 623041