TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 404.91 | Formula: C20H21ClN2O3S
H donors: 0 H acceptors: 1 LogP: 4.37 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCOCCn1c(=NC(=O)CCOc2ccccc2)sc2c1ccc(c2)Cl
InChi: 1S/C20H21ClN2O3S/c1-2-25-13-11-23-17-9-8-15(21)14-18(17)27-20(23)22-19(24)10-12-26-16-6-4-3-5-7-16/h3-9,14H,2,10-13H2,1H3/b22-20-
InChiKey: MQUXULHUPMCFCY-XDOYNYLZSA-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
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.1691	0.5
Brugia malayi	CHE-14 protein	0.0043	0.1691	0.176
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0126	0.5
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0919	0.0919
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0919	0.0919
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1986	0.2202
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0132	0.9016	1
Echinococcus multilocularis	tar DNA binding protein	0.0132	0.9016	0.9016
Echinococcus granulosus	tar DNA binding protein	0.0132	0.9016	0.9016
Echinococcus multilocularis	protein patched	0.0043	0.1691	0.1691
Brugia malayi	latrophilin 2 splice variant baaae	0.0073	0.4162	0.454
Brugia malayi	RNA recognition motif domain containing protein	0.0132	0.9016	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0101	0.6434	1
Loa Loa (eye worm)	TAR-binding protein	0.0132	0.9016	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0919	0.0919
Schistosoma mansoni	patched 1	0.0043	0.1691	0.1875
Echinococcus multilocularis	expressed conserved protein	0.0095	0.593	0.593
Loa Loa (eye worm)	hypothetical protein	0.0101	0.6434	0.7096
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0919	0.0892
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.2305	0.5
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0126	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0107	0.6956	0.7683
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0107	0.6956	0.7683
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0126	0.5
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0126	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1986	0.2202
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0126	0.5
Schistosoma mansoni	hypothetical protein	0.0037	0.1161	0.1288
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1986	0.1986
Loa Loa (eye worm)	hypothetical protein	0.0073	0.4162	0.454
Schistosoma mansoni	hypothetical protein	0.0042	0.1562	0.1733
Echinococcus granulosus	GPCR family 2	0.0034	0.0919	0.0919
Schistosoma mansoni	hypothetical protein	0.0034	0.0919	0.102
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.1691	0.1691
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.1691	0.1691
Brugia malayi	Niemann-Pick C1 protein precursor	0.0101	0.6434	0.7096
Echinococcus granulosus	expressed conserved protein	0.0095	0.593	0.593
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0919	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0107	0.6956	0.7683
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.9016	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.2305	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1986	0.1986
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.2305	0.5
Brugia malayi	RNA binding protein	0.0132	0.9016	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0919	0.0892
Brugia malayi	hypothetical protein	0.0037	0.1161	0.1165
Brugia malayi	TAR-binding protein	0.0132	0.9016	1
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.9016	1
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.1161	0.1288
Entamoeba histolytica	hypothetical protein	0.0037	0.1161	0.1641
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0126	0.5
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.1691	0.176
Brugia malayi	hypothetical protein	0.0051	0.2305	0.2451
Schistosoma mansoni	hypothetical protein	0.0042	0.1562	0.1733
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0107	0.6956	0.7683
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.9016	1
Echinococcus multilocularis	protein dispatched 1	0.0049	0.2195	0.2195
Echinococcus granulosus	Niemann Pick C1 protein	0.0101	0.6434	0.6434
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0919	0.0919
Loa Loa (eye worm)	hypothetical protein	0.0051	0.2305	0.2451
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0126	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.9016	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1986	0.1986
Loa Loa (eye worm)	RNA binding protein	0.0132	0.9016	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1986	0.1986
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.1161	0.1161
Schistosoma mansoni	hypothetical protein	0.0073	0.4162	0.4616
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0126	0.5
Onchocerca volvulus		0.0024	0.0126	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1986	0.2092
Entamoeba histolytica	hypothetical protein	0.0037	0.1161	0.1641
Entamoeba histolytica	hypothetical protein	0.0037	0.1161	0.1641
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0126	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0126	0.5
Schistosoma mansoni	hypothetical protein	0.0034	0.0919	0.102
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0919	0.0892
Schistosoma mansoni	hypothetical protein	0.0042	0.1562	0.1733
Entamoeba histolytica	hypothetical protein	0.0037	0.1161	0.1641
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.1161	0.1161
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1986	0.2092
Loa Loa (eye worm)	hypothetical protein	0.0053	0.2493	0.2663
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0126	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.9016	1
Brugia malayi	hypothetical protein	0.0033	0.0824	0.0785
Schistosoma mansoni	hypothetical protein	0.0042	0.1562	0.1733
Schistosoma mansoni	hypothetical protein	0.0034	0.0919	0.102
Echinococcus multilocularis	Niemann Pick C1 protein	0.0101	0.6434	0.6434
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.2305	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.2305	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1691	0.176
Leishmania major	hypothetical protein, conserved	0.0051	0.2305	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0102	0.6563	0.7279
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.1691	0.1691
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0919	0.0919
Echinococcus multilocularis	Niemann Pick C1 protein	0.0144	1	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.2305	0.5
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0126	0.5
Schistosoma mansoni	hypothetical protein	0.0034	0.0919	0.102
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1986	0.2202
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.2305	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 621343