TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 661.303 | Formula: C23H22Cl2F3IN2O3S
H donors: 2 H acceptors: 2 LogP: 6.57 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: CSCC(NC(=O)c1c(I)cccc1C(=O)Nc1ccc(cc1C(F)(F)F)OCC=C(Cl)Cl)(C)C
InChi: 1S/C23H22Cl2F3IN2O3S/c1-22(2,12-35-3)31-21(33)19-14(5-4-6-16(19)29)20(32)30-17-8-7-13(34-10-9-18(24)25)11-15(17)23(26,27)28/h4-9,11H,10,12H2,1-3H3,(H,30,32)(H,31,33)
InChiKey: SYTNDNCBNGTKNG-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
Loa Loa (eye worm)	acetylcholinesterase 1	0.0514	1	1
Entamoeba histolytica	cdc48-like protein, putative	0.0135	0.2498	1
Plasmodium falciparum	basic transcription factor 3b, putative	0.0034	0.0493	0.1975
Echinococcus multilocularis	transitional endoplasmic reticulum atpase	0.0142	0.2643	0.2643
Schistosoma mansoni	hypothetical protein	0.0027	0.0357	0.0357
Schistosoma mansoni	cell division control protein 48 aaa family protein	0.0059	0.0991	0.0991
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0027	0.0357	0.0357
Onchocerca volvulus	Transitional endoplasmic reticulum ATPase homolog	0.0142	0.2643	1
Onchocerca volvulus		0.0087	0.1544	0.5194
Giardia lamblia	AAA family ATPase	0.0085	0.1512	0.5
Entamoeba histolytica	hypothetical protein	0.0034	0.0493	0.1975
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0513	0.0513
Loa Loa (eye worm)	ICD-1 protein	0.0034	0.0493	0.0141
Leishmania major	Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog	0.0135	0.2498	1
Echinococcus multilocularis	neuroligin	0.0087	0.1544	0.1544
Echinococcus granulosus	netrin receptor unc 5	0.0027	0.0357	0.0357
Echinococcus multilocularis	netrin receptor unc 5	0.0027	0.0357	0.0357
Echinococcus multilocularis	tar DNA binding protein	0.0059	0.0986	0.0986
Brugia malayi	RNA recognition motif domain containing protein	0.0059	0.0986	0.0652
Brugia malayi	Carboxylesterase family protein	0.0514	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0493	0.0009
Entamoeba histolytica	hypothetical protein	0.0035	0.0513	0.2053
Trichomonas vaginalis	spermatogenesis associated factor, putative	0.0142	0.2643	1
Brugia malayi	Uncoordinated protein 44	0.0027	0.0357	0.000000031977
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0362	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0514	1	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1544	0.1231
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0514	1	1
Echinococcus granulosus	carboxylesterase 5A	0.0514	1	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0513	0.2053
Brugia malayi	Latrophilin receptor protein 2	0.003	0.0416	0.0061
Entamoeba histolytica	transitional endoplasmic reticulum ATPase, putative	0.0135	0.2498	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1101	0.0771
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1544	0.1231
Schistosoma mansoni	ankyrin 23/unc44	0.0027	0.0357	0.0357
Trichomonas vaginalis	spcc417.12 protein, putative	0.0087	0.1544	0.4894
Echinococcus multilocularis	carboxylesterase 5A	0.0514	1	1
Schistosoma mansoni	cell division control protein 48 aaa family protein	0.0135	0.2498	0.2498
Schistosoma mansoni	tar DNA-binding protein	0.0059	0.0986	0.0986
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0094	0.1691	0.1384
Echinococcus multilocularis	transitional endoplasmic reticulum atpase	0.0059	0.0991	0.0991
Loa Loa (eye worm)	carboxylesterase	0.0087	0.1544	0.1231
Echinococcus multilocularis	acetylcholinesterase	0.0514	1	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0087	0.1544	0.4894
Loa Loa (eye worm)	TAR-binding protein	0.0059	0.0986	0.0652
Onchocerca volvulus		0.0087	0.1544	0.5194
Loa Loa (eye worm)	carboxylesterase	0.0087	0.1544	0.1231
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0087	0.1544	1
Schistosoma mansoni	tar DNA-binding protein	0.0059	0.0986	0.0986
Entamoeba histolytica	hypothetical protein	0.0035	0.0513	0.2053
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1478	0.1162
Trypanosoma brucei	Valosin-containing protein	0.0135	0.2498	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0513	0.0513
Brugia malayi	hypothetical protein	0.0035	0.0513	0.0162
Brugia malayi	TAR-binding protein	0.0059	0.0986	0.0652
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0094	0.1691	0.1384
Schistosoma mansoni	hypothetical protein	0.0035	0.0513	0.0513
Echinococcus granulosus	Ankyrin	0.0027	0.0362	0.0362
Brugia malayi	hypothetical protein	0.0087	0.1544	0.1231
Toxoplasma gondii	transitional endoplasmic reticulum ATPase, putative	0.0085	0.1512	0.5719
Toxoplasma gondii	NAC domain-containing protein	0.0034	0.0493	0.1867
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0087	0.1544	0.1544
Trypanosoma cruzi	transcription factor btf3, putative	0.0034	0.0493	0.1975
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1544	0.1231
Schistosoma mansoni	BC026374 protein (S09 family)	0.0087	0.1544	0.1544
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1544	0.1231
Echinococcus granulosus	acetylcholinesterase	0.0514	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0493	0.0009
Brugia malayi	beta-NAC-like protein	0.0034	0.0493	0.0141
Entamoeba histolytica	transcription factor BTF3, putative	0.0034	0.0493	0.1975
Schistosoma mansoni	netrin receptor unc5	0.0027	0.0357	0.0357
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0027	0.0362	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0514	1	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1544	0.1231
Loa Loa (eye worm)	hypothetical protein	0.014	0.2594	0.232
Brugia malayi	hypothetical protein	0.014	0.2594	0.232
Echinococcus granulosus	neuroligin	0.0087	0.1544	0.1544
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.003	0.0416	0.0416
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0087	0.1544	0.1544
Brugia malayi	Carboxylesterase family protein	0.0087	0.1544	0.1231
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0087	0.1544	0.1544
Onchocerca volvulus		0.0087	0.1544	0.5194
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.003	0.0416	0.0416
Schistosoma mansoni	cell division control protein 48 aaa family protein	0.0142	0.2643	0.2643
Onchocerca volvulus		0.0087	0.1544	0.5194
Schistosoma mansoni	gliotactin	0.0087	0.1544	0.1544
Onchocerca volvulus		0.014	0.2594	0.9787
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0027	0.0357	0.0357
Schistosoma mansoni	tar DNA-binding protein	0.0059	0.0986	0.0986
Schistosoma mansoni	hypothetical protein	0.003	0.0416	0.0416
Plasmodium vivax	cell division cycle ATPase, putative	0.0052	0.0845	0.3384
Loa Loa (eye worm)	vesicle-fusing ATPase	0.0084	0.1478	0.1162
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0087	0.1544	0.1544
Brugia malayi	Carboxylesterase family protein	0.0087	0.1544	0.1231
Echinococcus granulosus	GPCR family 2	0.003	0.0416	0.0416
Echinococcus granulosus	transcription factor btf3	0.0034	0.0493	0.0493
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0699	0.0699
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.003	0.0416	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1691	0.1384
Brugia malayi	vesicle-fusing ATPase	0.0084	0.1478	0.1162
Brugia malayi	Carboxylesterase family protein	0.0087	0.1544	0.1231
Echinococcus multilocularis	para nitrobenzyl esterase	0.0087	0.1544	0.1544
Onchocerca volvulus		0.0087	0.1544	0.5194
Schistosoma mansoni	tar DNA-binding protein	0.0059	0.0986	0.0986
Echinococcus granulosus	acetylcholinesterase	0.0514	1	1
Toxoplasma gondii	cell division protein CDC48CY	0.0142	0.2643	1
Echinococcus granulosus	tar DNA binding protein	0.0059	0.0986	0.0986
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0087	0.1544	0.1544
Schistosoma mansoni	hypothetical protein	0.003	0.0416	0.0416
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0087	0.1544	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0699	0.0699
Schistosoma mansoni	transcription factor btf3	0.0034	0.0493	0.0493
Echinococcus granulosus	transitional endoplasmic reticulum atpase	0.0142	0.2643	0.2643
Plasmodium vivax	cell division cycle protein 48 homologue, putative	0.0135	0.2498	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0699	0.0699
Echinococcus multilocularis	GPCR, family 2	0.003	0.0416	0.0416
Mycobacterium ulcerans	carboxylesterase, LipT	0.0087	0.1544	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0087	0.1544	1
Plasmodium vivax	basic transcription factor 3b, putative	0.0034	0.0493	0.1975
Echinococcus multilocularis	transcription factor btf3	0.0034	0.0493	0.0493
Brugia malayi	Carboxylesterase family protein	0.0087	0.1544	0.1231
Mycobacterium ulcerans	ATPase	0.0085	0.1512	0.9788
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.003	0.0416	0.0416
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0699	0.0699
Schistosoma mansoni	tar DNA-binding protein	0.0059	0.0986	0.0986
Echinococcus granulosus	BC026374 protein S09 family	0.0087	0.1544	0.1544
Brugia malayi	Protein kinase domain containing protein	0.0027	0.0357	0.000000031977
Schistosoma mansoni	acetylcholinesterase	0.0087	0.1544	0.1544
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1544	0.1231
Loa Loa (eye worm)	hypothetical protein	0.003	0.0416	0.0061
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0699	0.0699
Schistosoma mansoni	hypothetical protein	0.003	0.0416	0.0416
Brugia malayi	RNA binding protein	0.0059	0.0986	0.0652
Loa Loa (eye worm)	RNA binding protein	0.0059	0.0986	0.0652
Echinococcus multilocularis	acetylcholinesterase	0.0514	1	1
Brugia malayi	valosin containing protein	0.0084	0.1478	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1544	0.1231
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0094	0.1691	0.1384
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0699	0.0699
Loa Loa (eye worm)	VCP protein	0.0059	0.0991	0.0657
Trypanosoma cruzi	transcription factor btf3, putative	0.0034	0.0493	0.1975
Brugia malayi	transitional endoplasmic reticulum ATPase TER94, putative	0.0059	0.0991	0.0657
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0413	0.7998	0.7998
Plasmodium falciparum	cell division cycle protein 48 homologue, putative	0.0135	0.2498	1
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0413	0.7998	0.7998
Trypanosoma brucei	transcription factor BTF3, putative	0.0034	0.0493	0.1975
Echinococcus granulosus	para nitrobenzyl esterase	0.0087	0.1544	0.1544
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0059	0.0986	0.0652
Echinococcus multilocularis	Ankyrin	0.0027	0.0362	0.0362
Schistosoma mansoni	hypothetical protein	0.0064	0.1101	0.1101
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0699	0.0355
Leishmania major	basic transcription factor 3a, putative	0.0034	0.0493	0.1975
Loa Loa (eye worm)	latrophilin receptor protein 2	0.003	0.0416	0.0061
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0699	0.0355
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0087	0.1544	0.1544
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.003	0.0416	0.0061
Trypanosoma cruzi	Valosin-containing protein, putative	0.0135	0.2498	1
Brugia malayi	Death domain containing protein	0.0027	0.0357	0.000000031977
Toxoplasma gondii	cell division protein CDC48AP	0.0085	0.1512	0.5719
Schistosoma mansoni	hypothetical protein	0.003	0.0416	0.0416
Brugia malayi	latrophilin 2 splice variant baaae	0.0064	0.1101	0.0771
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0087	0.1544	0.1544
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0513	0.0513
Entamoeba histolytica	hypothetical protein	0.0035	0.0513	0.2053
Echinococcus granulosus	death domain containing protein	0.0027	0.0357	0.0357
Loa Loa (eye worm)	carboxylesterase	0.0514	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0493	0.0009
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0699	0.0699

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: CHEMBL2288224

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1801549