TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 432.924 | Formula: C20H21ClN4O3S
H donors: 1 H acceptors: 4 LogP: 3.24 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)Cl)CSc1c(cnc2c1c(=O)n(C)c(=O)n2C)C(C)C
InChi: 1S/C20H21ClN4O3S/c1-11(2)14-9-22-18-16(19(27)25(4)20(28)24(18)3)17(14)29-10-15(26)23-13-7-5-12(21)6-8-13/h5-9,11H,10H2,1-4H3,(H,23,26)
InChiKey: CYEYYWJKQNKHQS-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
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0134	0.07
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0314	0.5096	1
Echinococcus granulosus	hypothetical protein	0.0029	0.0409	0.0778
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.107	0.6674
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0134	0.07
Giardia lamblia	Fructose-bisphosphate aldolase	0.0314	0.5096	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0102	0.1598	0.6147
Toxoplasma gondii	isocitrate dehydrogenase	0.0017	0.0205	0.5366
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0102	0.1598	0.8382
Trichomonas vaginalis	CAMK family protein kinase	0.005	0.0755	0.1252
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0134	0.07
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0154	0.2452	0.2452
Echinococcus multilocularis	tumor susceptibility gene 101 protein	0.0075	0.1157	0.2201
Echinococcus multilocularis	Kelch repeat type 1	0.0102	0.1602	0.3047
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.1598	0.2951
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0017	0.0205	0.5366
Trypanosoma brucei	calpain, putative	0.012	0.1907	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0154	0.2452	0.2452
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.107	0.2034
Entamoeba histolytica	tumor susceptibility gene 101 protein, putative	0.0051	0.0764	0.1271
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0134	0.07
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.1598	0.2951
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0314	0.5096	1
Echinococcus granulosus	muscleblind protein	0.0324	0.5259	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.107	0.6674
Schistosoma mansoni	serine/threonine protein kinase	0.0102	0.1598	0.9973
Trypanosoma brucei	hypothetical protein	0.012	0.1907	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0564	0.1073
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.012	0.1907	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0017	0.0205	0.1278
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0134	0.07
Brugia malayi	isocitrate dehydrogenase	0.0017	0.0205	0.0365
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0314	0.5096	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0409	0.0729
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.012	0.1907	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0017	0.0205	0.039
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.107	0.6674
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.012	0.1907	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0017	0.0205	0.5366
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0382	1
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.1598	0.2951
Loa Loa (eye worm)	tumor suppressor	0.0346	0.5614	1
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.1598	0.2951
Echinococcus multilocularis	muscleblind protein	0.0324	0.5259	1
Echinococcus granulosus	tar DNA binding protein	0.0069	0.107	0.2034
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0017	0.0205	0.1074
Brugia malayi	Muscleblind-like protein	0.0324	0.5259	0.9367
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0382	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0205	0.1074
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0205	0.1074
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0102	0.1598	0.3038
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0134	0.07
Mycobacterium tuberculosis	UDP-galactopyranose mutase Glf (UDP-GALP mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme)	0.0612	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0013	0.0134	0.07
Trypanosoma brucei	polo-like protein kinase	0.0102	0.1598	0.826
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0017	0.0205	0.0365
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0205	0.039
Leishmania major	hypothetical protein, conserved	0.0028	0.0382	0.2002
Entamoeba histolytica	hypothetical protein	0.0039	0.0564	0.0867
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0017	0.0205	0.0205
Onchocerca volvulus		0.0162	0.26	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.012	0.1907	1
Echinococcus granulosus	protein quaking	0.0029	0.0409	0.0778
Brugia malayi	Isocitrate dehydrogenase	0.0017	0.0205	0.0365
Echinococcus multilocularis	protein quaking	0.0029	0.0409	0.0778
Brugia malayi	hypothetical protein	0.0162	0.26	0.4631
Brugia malayi	serine/threonine-protein kinase plk-2	0.0102	0.1598	0.2847
Treponema pallidum	fructose-bisphosphate aldolase	0.0314	0.5096	0.5
Schistosoma mansoni	hypothetical protein	0.0029	0.0409	0.2551
Schistosoma mansoni	hypothetical protein	0.0029	0.0409	0.2551
Entamoeba histolytica	hypothetical protein	0.0039	0.0564	0.0867
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0314	0.5096	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0102	0.1598	0.8382
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0205	0.039
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0154	0.2452	0.2452
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0017	0.0205	0.0402
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.012	0.1907	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.012	0.1907	1
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0134	0.07
Loa Loa (eye worm)	hypothetical protein	0.0324	0.5259	0.9367
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.107	0.6674
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.107	0.1905
Loa Loa (eye worm)	hypothetical protein	0.0324	0.5259	0.9367
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0382	0.068
Schistosoma mansoni	tsg101-related	0.0062	0.0952	0.5939
Trichomonas vaginalis	CAMK family protein kinase	0.005	0.0755	0.1252
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0131	0.025
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0131	0.025
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.012	0.1907	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.012	0.1907	1
Brugia malayi	tumor suppressor.	0.0346	0.5614	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0102	0.1598	0.3039
Toxoplasma gondii	isocitrate dehydrogenase	0.0017	0.0205	0.5366
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0314	0.5096	1
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.1598	0.2951
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.012	0.1907	1
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.1598	0.2951
Echinococcus multilocularis	kelch ECH associated protein 1	0.0102	0.1598	0.3038
Schistosoma mansoni	hypothetical protein	0.0039	0.0564	0.352
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.012	0.1907	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0314	0.5096	1
Schistosoma mansoni	hypothetical protein	0.0102	0.1602	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0017	0.0205	0.039
Trypanosoma brucei	variant surface glycoprotein (VSG), putative	0.012	0.1907	1
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0134	0.07
Schistosoma mansoni	tsg101-related	0.0062	0.0952	0.5939
Schistosoma mansoni	kinase	0.0052	0.0777	0.4847
Brugia malayi	Temporarily assigned gene name protein 44	0.0029	0.0409	0.0729
Trypanosoma brucei	Vps23 core domain containing protein, putative	0.0024	0.0321	0.1058
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.012	0.1907	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0102	0.1598	0.2847
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0134	0.07
Trypanosoma cruzi	Vps23 core domain containing protein, putative	0.0024	0.0321	0.1684
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0134	0.07
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0564	0.352
Entamoeba histolytica	hypothetical protein	0.0039	0.0564	0.0867
Trypanosoma brucei	calpain-like protein, putative	0.012	0.1907	1
Echinococcus granulosus	tumor susceptibility gene 101 protein	0.0075	0.1157	0.2201
Entamoeba histolytica	hypothetical protein	0.0039	0.0564	0.0867
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1157	0.2062
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0382	1
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0102	0.1598	0.2951
Mycobacterium ulcerans	UDP-galactopyranose mutase Glf	0.0612	1	1
Brugia malayi	TAR-binding protein	0.0069	0.107	0.1905
Loa Loa (eye worm)	hypothetical protein	0.0162	0.26	0.4631
Brugia malayi	hypothetical protein	0.0018	0.0221	0.0393
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0314	0.5096	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.012	0.1907	1
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0102	0.1598	0.3039
Leishmania major	hypothetical protein, conserved	0.0024	0.0321	0.1684
Echinococcus multilocularis	kelch ECH associated protein 1	0.0102	0.1598	0.3038
Brugia malayi	RNA binding protein	0.0069	0.107	0.1905
Brugia malayi	hypothetical protein	0.0075	0.1157	0.2062
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0382	0.2002
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0102	0.1598	0.3038
Trypanosoma cruzi	hypothetical protein, conserved	0.0013	0.0134	0.07
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.107	0.1905
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0314	0.5096	1
Echinococcus multilocularis	muscleblind protein 1	0.0324	0.5259	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.107	0.1905
Loa Loa (eye worm)	RNA binding protein	0.0069	0.107	0.1905
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.012	0.1907	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0382	1
Schistosoma mansoni	tsg101-related	0.0051	0.0764	0.4769
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0314	0.5096	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0.0205	0.0402
Brugia malayi	hypothetical protein	0.0039	0.0564	0.1005
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.012	0.1907	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0382	0.2002
Trypanosoma cruzi	UEV domain/Zinc finger, C3HC4 type (RING finger), putative	0.0013	0.0134	0.07
Brugia malayi	hypothetical protein	0.0029	0.0409	0.0729
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0314	0.5096	1
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.1598	0.2951
Echinococcus granulosus	kelch ECH associated protein 1	0.0102	0.1598	0.3038
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.107	0.6674
Trypanosoma cruzi	polo-like protein kinase, putative	0.0102	0.1598	0.8382
Trichomonas vaginalis	hypothetical protein	0.0036	0.0527	0.0792
Schistosoma mansoni	hypothetical protein	0.0012	0.0131	0.082
Echinococcus multilocularis	isocitrate dehydrogenase	0.0017	0.0205	0.039
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0382	0.14
Brugia malayi	hypothetical protein	0.0028	0.0382	0.068
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0205	0.039
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0564	0.1073

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 702441