TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 444.949 | Formula: C23H22ClFN2O2S
H donors: 1 H acceptors: 1 LogP: 5.56 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)CN1CCC(CC1)Oc1ccc(cc1Cl)NC(=O)c1cccs1
InChi: 1S/C23H22ClFN2O2S/c24-20-14-18(26-23(28)22-2-1-13-30-22)7-8-21(20)29-19-9-11-27(12-10-19)15-16-3-5-17(25)6-4-16/h1-8,13-14,19H,9-12,15H2,(H,26,28)
InChiKey: HYHWLZDIEFMGNZ-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
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0665	0.1143
Echinococcus multilocularis	chromobox protein 1	0.0078	0.5471	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0084	0.6	0.8701
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.131	0.131
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.3131	0.3002
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0084	0.6	0.8701
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.3131	0.3131
Trypanosoma brucei	trypanothione reductase	0.0037	0.1993	0.6428
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.3131	0.3002
Echinococcus granulosus	lamin	0.0029	0.131	0.2331
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0094	0.6796	1
Brugia malayi	hypothetical protein	0.0028	0.1216	0.106
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.1216	0.2319
Leishmania major	trypanothione reductase	0.0037	0.1993	0.5588
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.1993	0.1993
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0037	0.2034	0.3667
Echinococcus granulosus	chromobox protein 1	0.0078	0.5471	1
Plasmodium vivax	glutathione reductase, putative	0.0037	0.1993	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0131	1	1
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0665	0.5
Echinococcus granulosus	chromobox protein 1	0.0078	0.5471	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0665	0.1904
Brugia malayi	chromobox protein homolog 3	0.0044	0.2568	0.2436
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0665	0.1904
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0665	0.1904
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1768	0.1768
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0665	0.0499
Schistosoma mansoni	DNA polymerase eta	0.0049	0.3041	0.2892
Schistosoma mansoni	lamin	0.0029	0.131	0.0785
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.5471	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.3131	0.3002
Echinococcus multilocularis	lamin	0.0029	0.131	0.2331
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.3131	0.5688
Mycobacterium tuberculosis	Probable oxidoreductase	0.0094	0.6796	1
Brugia malayi	Heterochromatin protein 1	0.0078	0.5471	0.5391
Leishmania major	DNA polymerase eta, putative	0.0049	0.3041	1
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.2849	0.4545
Echinococcus granulosus	dna polymerase eta	0.0049	0.3041	0.5521
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0084	0.6	0.8701
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0665	0.1904
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.3131	0.5688
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0045	0.0045
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.2568	0.396
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.1993	1
Plasmodium falciparum	glutathione reductase	0.0037	0.1993	1
Brugia malayi	Thioredoxin reductase	0.0037	0.1993	0.185
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.131	0.131
Echinococcus granulosus	lamin dm0	0.0029	0.131	0.2331
Trichomonas vaginalis	chromobox protein, putative	0.0078	0.5471	1
Schistosoma mansoni	chromobox protein	0.0078	0.5471	0.585
Echinococcus multilocularis	chromobox protein 1	0.0078	0.5471	1
Echinococcus granulosus	intermediate filament protein	0.0029	0.131	0.2331
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.2849	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0665	0.1904
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.1487	0.171
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.131	0.1155
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.1487	0.171
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0084	0.6	0.8701
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0094	0.6796	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0049	0.3041	1
Brugia malayi	glutathione reductase	0.0037	0.1993	0.185
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0665	0.1904
Loa Loa (eye worm)	hypothetical protein	0.0029	0.131	0.131
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0665	0.5
Plasmodium falciparum	thioredoxin reductase	0.0037	0.1993	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0665	0.1904
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0665	0.1904
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0044	0.2568	0.8173
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.3131	0.3009
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0035	0.1799	0.7514
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0665	0.5
Brugia malayi	intermediate filament protein	0.0029	0.131	0.1155
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1216	0.1216
Onchocerca volvulus		0.0034	0.1768	0.2976
Schistosoma mansoni	intermediate filament proteins	0.0029	0.131	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0044	0.2568	0.2568
Loa Loa (eye worm)	hypothetical protein	0.0028	0.1265	0.1265
Mycobacterium tuberculosis	Probable reductase	0.0084	0.6	0.8701
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0094	0.6796	1
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.2568	0.396
Loa Loa (eye worm)	hypothetical protein	0.0049	0.3041	0.3041
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.1216	0.2319
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0665	0.1143
Brugia malayi	hypothetical protein	0.0018	0.0383	0.0212
Loa Loa (eye worm)	glutathione reductase	0.0037	0.1993	0.1993
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0665	0.1143
Mycobacterium tuberculosis	Probable dehydrogenase	0.0084	0.6	0.8701
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0665	0.1904
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.3131	0.5688
Trypanosoma cruzi	DNA polymerase eta, putative	0.0035	0.1799	0.4775
Toxoplasma gondii	thioredoxin reductase	0.0037	0.1993	1
Echinococcus multilocularis	lamin dm0	0.0029	0.131	0.2331
Schistosoma mansoni	lamin	0.0029	0.131	0.0785
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0665	0.1904
Loa Loa (eye worm)	heterochromatin protein 1	0.0078	0.5471	0.5471
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0665	0.1904
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.3131	0.5688
Brugia malayi	ImpB/MucB/SamB family protein	0.0049	0.3041	0.2917
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0021	0.0665	0.5
Leishmania major	DNA polymerase eta, putative	0.0035	0.1799	0.4775
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.1216	0.3781
Trypanosoma brucei	unspecified product	0.0021	0.0665	0.1904
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0665	0.1143
Echinococcus multilocularis	dna polymerase eta	0.0049	0.3041	0.5521
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.0665	0.0665
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0665	0.1904
Echinococcus granulosus	thioredoxin glutathione reductase	0.0037	0.2034	0.3667
Trichomonas vaginalis	chromobox protein, putative	0.0047	0.2849	0.4545
Echinococcus multilocularis	musashi	0.0029	0.131	0.2331
Schistosoma mansoni	chromobox protein	0.0078	0.5471	0.585
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.1993	0.5588
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.1993	0.2166
Trypanosoma cruzi	DNA polymerase eta, putative	0.0049	0.3041	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0131	1	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0175	0.0175
Leishmania major	hypothetical protein, conserved	0.0028	0.1216	0.2319
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0665	0.1904

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

ChEMBL: CHEMBL524559

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1023977