TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 426.552 | Formula: C22H22N2O3S2
H donors: 1 H acceptors: 3 LogP: 4.6 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(c(c1)S(=O)(=O)Nc1ccc2c(c1)N(CCC2)C(=O)c1cccs1)C
InChi: 1S/C22H22N2O3S2/c1-15-7-8-16(2)21(13-15)29(26,27)23-18-10-9-17-5-3-11-24(19(17)14-18)22(25)20-6-4-12-28-20/h4,6-10,12-14,23H,3,5,11H2,1-2H3
InChiKey: VTIJQEUFHQGLCM-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
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0958	0.4701	0.4701
Brugia malayi	Carboxylesterase family protein	0.0958	0.4701	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0162	0.0736	0.0725
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0241	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0241	0.5
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0523	0.109
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0076	0.0064
Brugia malayi	Bromodomain containing protein	0.0029	0.0072	0.0129
Echinococcus granulosus	BC026374 protein S09 family	0.0162	0.0736	0.0725
Onchocerca volvulus	Alhambra homolog	0.0029	0.0072	0.0564
Trichomonas vaginalis	spcc417.12 protein, putative	0.0162	0.0736	0.6741
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0128	0.0116
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0102	0.0102
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0241	1
Schistosoma mansoni	microtubule-associated protein tau	0.2022	1	1
Giardia lamblia	PHD finger protein 15	0.0029	0.0072	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0076	0.0076
Leishmania major	cathepsin L-like protease	0.0063	0.0241	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0162	0.0736	0.0725
Loa Loa (eye worm)	carboxylesterase	0.0958	0.4701	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0102	0.0091
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0241	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0174	0.0346
Echinococcus multilocularis	microtubule associated protein 2	0.2022	1	1
Onchocerca volvulus	Huntingtin homolog	0.0119	0.0523	0.4757
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0162	0.0736	0.0736
Leishmania major	cathepsin L-like protease	0.0063	0.0241	1
Brugia malayi	Pre-SET motif family protein	0.0029	0.0076	0.0136
Echinococcus multilocularis	peregrin	0.0029	0.0072	0.0061
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0224	0.0452
Loa Loa (eye worm)	carboxylesterase	0.0162	0.0736	0.1545
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0076	0.0076
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0241	0.5
Brugia malayi	Carboxylesterase family protein	0.0162	0.0736	0.1545
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0076	0.0136
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0128	0.0116
Brugia malayi	Carboxylesterase family protein	0.0958	0.4701	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0072	0.1695
Onchocerca volvulus		0.0162	0.0736	0.6741
Mycobacterium ulcerans	carboxylesterase, LipT	0.0162	0.0736	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0162	0.0736	0.0736
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0736	0.1545
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0104	0.0093
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.0426	0.0426
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0241	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0162	0.0736	0.0725
Brugia malayi	MH2 domain containing protein	0.0117	0.0513	0.1069
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0076	0.0064
Loa Loa (eye worm)	acetylcholinesterase 1	0.0958	0.4701	1
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.01	0.0426	0.0415
Onchocerca volvulus		0.0232	0.1086	1
Brugia malayi	Pre-SET motif family protein	0.0204	0.0946	0.1992
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0162	0.0736	0.5
Brugia malayi	jmjC domain containing protein	0.0094	0.0396	0.082
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0076	0.0076
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0072	0.1695
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.0396	0.0385
Schistosoma mansoni	hypothetical protein	0.0035	0.0104	0.0104
Brugia malayi	jmjC domain containing protein	0.0035	0.0102	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0066	0.026	0.0531
Toxoplasma gondii	cathepsin CPL	0.0016	0.0012	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0523	0.109
Echinococcus granulosus	neuroligin	0.0162	0.0736	0.0725
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.0396	0.0385
Schistosoma mansoni	hypothetical protein	0.0029	0.0072	0.0072
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0241	0.5
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0736	0.1545
Echinococcus granulosus	carboxylesterase 5A	0.0958	0.4701	0.4695
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0102	0.0091
Brugia malayi	Melibiase family protein	0.0066	0.026	0.0531
Brugia malayi	hypothetical protein	0.0162	0.0736	0.1545
Echinococcus granulosus	acetylcholinesterase	0.0958	0.4701	0.4695
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0102	0.0102
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0162	0.0736	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.0104	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0241	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0076	0.0064
Onchocerca volvulus		0.0162	0.0736	0.6741
Entamoeba histolytica	hypothetical protein	0.0035	0.0104	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0072	0.0129
Entamoeba histolytica	hypothetical protein	0.0035	0.0104	1
Onchocerca volvulus		0.0162	0.0736	0.6741
Echinococcus multilocularis	neuroligin	0.0162	0.0736	0.0725
Entamoeba histolytica	hypothetical protein	0.0035	0.0104	1
Leishmania major	cathepsin L-like protease	0.0063	0.0241	1
Echinococcus multilocularis	acetylcholinesterase	0.0958	0.4701	0.4695
Plasmodium vivax	SET domain protein, putative	0.0029	0.0076	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0241	0.5
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0736	0.1545
Schistosoma mansoni	BC026374 protein (S09 family)	0.0162	0.0736	0.0736
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.0426	0.0426
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0102	0.0193
Echinococcus multilocularis	acetylcholinesterase	0.0958	0.4701	0.4695
Onchocerca volvulus		0.0162	0.0736	0.6741
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0241	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0076	0.0076
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0162	0.0736	0.0736
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0736	0.1545
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.0175	0.7098
Brugia malayi	hypothetical protein	0.0119	0.0523	0.109
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0241	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0204	0.0946	0.1992
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0066	0.026	0.026
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0072	0.0061
Schistosoma mansoni	jumonji domain containing protein	0.0074	0.03	0.03
Brugia malayi	Carboxylesterase family protein	0.0162	0.0736	0.1545
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0104	0.0104
Trichomonas vaginalis	set domain proteins, putative	0.0232	0.1086	1
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0072	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0162	0.0736	0.0736
Trypanosoma cruzi	cruzipain precursor, putative	0.0063	0.0241	1
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0072	0.0072
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0076	0.1775
Echinococcus granulosus	acetylcholinesterase	0.0958	0.4701	0.4695
Loa Loa (eye worm)	carboxylesterase	0.0162	0.0736	0.1545
Brugia malayi	PHD-finger family protein	0.0029	0.0072	0.0129
Echinococcus multilocularis	para nitrobenzyl esterase	0.0162	0.0736	0.0725
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.0513	0.1069
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0736	0.1545
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.01	0.0426	0.0415
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0162	0.0736	0.5
Loa Loa (eye worm)	hypothetical protein	0.0958	0.4701	1
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.01	0.0426	0.0415
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.0426	0.0426
Echinococcus multilocularis	carboxylesterase 5A	0.0958	0.4701	0.4695
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0012	0.0012
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.007	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0736	0.1545
Toxoplasma gondii	melibiase subfamily protein	0.01	0.0426	1
Schistosoma mansoni	gliotactin	0.0162	0.0736	0.0736
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.01	0.0426	0.0426
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0072	0.0061
Schistosoma mansoni	acetylcholinesterase	0.0162	0.0736	0.0736
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0162	0.0736	0.6741
Brugia malayi	hypothetical protein	0.0035	0.0104	0.0197
Echinococcus granulosus	peregrin	0.0029	0.0072	0.0061
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0072	0.9468
Loa Loa (eye worm)	hypothetical protein	0.0958	0.4701	1
Onchocerca volvulus		0.0162	0.0736	0.6741
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0104	0.0093
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0066	0.026	0.2316
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0162	0.0736	0.0725
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0072	0.0129
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0241	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.0513	0.1069
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0012	0.0012
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0066	0.026	0.026
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.0214	0.8824
Onchocerca volvulus		0.0029	0.0076	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0736	0.1545
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0241	0.5
Brugia malayi	Carboxylesterase family protein	0.0162	0.0736	0.1545
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0241	0.5
Brugia malayi	Carboxylesterase family protein	0.0162	0.0736	0.1545
Onchocerca volvulus	Huntingtin homolog	0.0119	0.0523	0.4757

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 699493