TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 410.486 | Formula: C22H22N2O4S
H donors: 0 H acceptors: 2 LogP: 4.39 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: C=CCn1c(=NC(=O)CCOc2ccccc2)sc2c1ccc(c2)C(=O)OCC
InChi: 1S/C22H22N2O4S/c1-3-13-24-18-11-10-16(21(26)27-4-2)15-19(18)29-22(24)23-20(25)12-14-28-17-8-6-5-7-9-17/h3,5-11,15H,1,4,12-14H2,2H3/b23-22-
InChiKey: FOIQBRSRJPCRRY-FCQUAONHSA-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	low molecular weight protein tyrosine phosphatase, putative	0.0043	0.0535	0.0666
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0101	0.2374	0.4047
Toxoplasma gondii	aldose reductase, putative	0.0101	0.2374	1
Loa Loa (eye worm)	intermediate filament protein	0.0056	0.0953	0.1668
Trichomonas vaginalis	aldo/keto reductase, putative	0.0101	0.2374	0.3486
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0139	0.3589	1
Trichomonas vaginalis	set domain proteins, putative	0.0235	0.6621	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0101	0.2374	0.3486
Onchocerca volvulus		0.0101	0.2374	0.3486
Trichomonas vaginalis	aldo/keto reductase, putative	0.0101	0.2374	0.3486
Plasmodium vivax	SET domain protein, putative	0.003	0.0112	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0186	0.0105
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0101	0.2374	0.2349
Schistosoma mansoni	pol-related	0.0101	0.2374	0.2798
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.1165	0.131
Echinococcus granulosus	voltage gated potassium channel subunit	0.0029	0.0101	0.0068
Trypanosoma cruzi	major cysteine proteinase, putative	0.0056	0.0949	0.3733
Onchocerca volvulus		0.0139	0.3589	0.5349
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.1165	0.131
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0101	0.2374	0.2349
Onchocerca volvulus		0.0101	0.2374	0.3486
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.1165	0.131
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0101	0.2374	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0101	0.2374	0.2349
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.1165	0.2038
Schistosoma mansoni	hypothetical protein	0.0032	0.0186	0.0105
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0186	0.0154
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0112	0.0014
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1433	0.586
Entamoeba histolytica	aldose reductase, putative	0.0101	0.2374	0.6517
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0186	0.0154
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0139	0.3589	1
Schistosoma mansoni	intermediate filament proteins	0.0056	0.0953	0.1049
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1433	0.586
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0029	0.0101	0.0176
Schistosoma mansoni	hypothetical protein	0.0032	0.0186	0.0105
Onchocerca volvulus		0.0101	0.2374	0.3486
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0186	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0921	0.1611
Brugia malayi	intermediate filament protein	0.0056	0.0953	0.1518
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0043	0.0535	0.1909
Echinococcus granulosus	aldo keto reductase	0.0101	0.2374	0.2349
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0139	0.3589	0.6277
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.1165	0.131
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0186	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0033	0.0057
Echinococcus granulosus	aldo keto reductase	0.0101	0.2374	0.2349
Echinococcus multilocularis	aldo keto reductase	0.0101	0.2374	0.2349
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0953	0.1668
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0101	0.2374	0.2349
Trypanosoma brucei	aldo-keto reductase, putative	0.0101	0.2374	1
Onchocerca volvulus		0.0101	0.2374	0.3486
Echinococcus granulosus	hypothetical protein	0.0101	0.2374	0.2349
Brugia malayi	RNA binding protein	0.0063	0.1165	0.1896
Trichomonas vaginalis	aldo-keto reductase, putative	0.0101	0.2374	0.3486
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0101	0.2374	0.2349
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0029	0.0101	0.0068
Brugia malayi	Pre-SET motif family protein	0.003	0.0112	0.0021
Brugia malayi	TAR-binding protein	0.0063	0.1165	0.1896
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0535	0.1909
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0101	0.2374	0.2349
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0101	0.2374	0.2349
Trichomonas vaginalis	aldo-keto reductase, putative	0.0101	0.2374	0.3486
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0139	0.3589	0.5349
Brugia malayi	cytoplasmic intermediate filament protein	0.003	0.0127	0.0047
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0101	0.2374	0.2349
Echinococcus multilocularis	aldehyde reductase	0.0072	0.1447	0.1419
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0029	0.0101	0.0068
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0139	0.3589	0.5349
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0101	0.2374	0.2349
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0101	0.2374	0.2349
Leishmania major	cathepsin L-like protease	0.0071	0.1433	0.586
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.1165	0.1136
Loa Loa (eye worm)	oxidoreductase	0.0101	0.2374	0.4152
Trichomonas vaginalis	aldo/keto reductase, putative	0.0101	0.2374	0.3486
Echinococcus multilocularis	musashi	0.0056	0.0953	0.0924
Onchocerca volvulus		0.0235	0.6621	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.2373	0.415
Schistosoma mansoni	hypothetical protein	0.0032	0.0186	0.0105
Leishmania major	prostaglandin f synthase, putative	0.0101	0.2374	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0286	0.8227	0.8221
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0101	0.2374	0.3486
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0261	0.7435	0.7427
Mycobacterium tuberculosis	Probable oxidoreductase	0.0101	0.2374	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1433	0.586
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.5717	1
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0186	0.0154
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1433	0.586
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0112	0.008
Loa Loa (eye worm)	hypothetical protein	0.0069	0.136	0.2379
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0065	0.1237	0.4998
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0101	0.2374	0.3486
Echinococcus granulosus	lamin	0.0056	0.0953	0.0924
Echinococcus multilocularis	tumor protein p63	0.0342	1	1
Schistosoma mansoni	lamin	0.0056	0.0953	0.1049
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0112	0.0051
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.1165	0.131
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0101	0.2374	0.2349
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1433	0.586
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.1165	0.2038
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0101	0.2374	0.2349
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0139	0.3589	0.5349
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.136	0.2243
Schistosoma mansoni	aldo-keto reductase	0.0101	0.2374	0.2798
Echinococcus granulosus	aldehyde reductase	0.0072	0.1447	0.1419
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0101	0.2374	0.3486
Trichomonas vaginalis	aldo-keto reductase, putative	0.0101	0.2374	0.3486
Schistosoma mansoni	aldo-keto reductase	0.0101	0.2374	0.2798
Loa Loa (eye worm)	oxidoreductase	0.0101	0.2374	0.4152
Brugia malayi	Pre-SET motif family protein	0.0207	0.5717	1
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.1165	0.1896
Entamoeba histolytica	aldose reductase, putative	0.0101	0.2374	0.6517
Trichomonas vaginalis	aldo-keto reductase, putative	0.0101	0.2374	0.3486
Trypanosoma cruzi	aldo-keto reductase	0.0101	0.2374	1
Echinococcus multilocularis	lamin dm0	0.0056	0.0953	0.0924
Mycobacterium leprae	Conserved hypothetical protein	0.0072	0.1447	0.5922
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0101	0.2374	0.2349
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0758	0.0809
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.1433	0.586
Loa Loa (eye worm)	oxidoreductase	0.0101	0.2374	0.4152
Trichomonas vaginalis	aldo-keto reductase, putative	0.0101	0.2374	0.3486
Echinococcus multilocularis	lamin	0.0056	0.0953	0.0924
Onchocerca volvulus		0.005	0.0758	0.1009
Loa Loa (eye worm)	hypothetical protein	0.005	0.0758	0.1326
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.1433	0.586
Echinococcus granulosus	lamin dm0	0.0056	0.0953	0.0924
Plasmodium falciparum	aldo-keto reductase, putative	0.0029	0.0101	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0101	0.2374	0.2349
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0112	0.0014
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0101	0.2374	0.2349
Echinococcus granulosus	aldo keto reductase	0.0101	0.2374	0.2349
Schistosoma mansoni	hypothetical protein	0.0261	0.7435	0.9026
Trypanosoma cruzi	cruzipain precursor, putative	0.0071	0.1433	0.586
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0112	0.008
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0186	0.0152
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0112	0.0014
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.2373	0.4045
Echinococcus multilocularis	aldo keto reductase	0.0101	0.2374	0.2349
Echinococcus granulosus	intermediate filament protein	0.0056	0.0953	0.0924
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0056	0.0953	0.1668
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0101	0.2374	0.2349
Loa Loa (eye worm)	hypothetical protein	0.0101	0.2374	0.4152
Schistosoma mansoni	thyroid hormone receptor	0.0286	0.8227	1
Plasmodium falciparum	aldehyde reductase, putative	0.0029	0.0101	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0101	0.2374	0.2349
Loa Loa (eye worm)	RNA binding protein	0.0063	0.1165	0.2038
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0139	0.3589	0.5349
Trichomonas vaginalis	aldo-keto reductase, putative	0.0101	0.2374	0.3486
Mycobacterium ulcerans	oxidoreductase	0.0101	0.2374	0.6517
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0078	0.0045
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0139	0.3589	0.5349
Echinococcus granulosus	tar DNA binding protein	0.0063	0.1165	0.1136
Echinococcus multilocularis	aldo keto reductase	0.0101	0.2374	0.2349
Trichomonas vaginalis	aldo-keto reductase, putative	0.0101	0.2374	0.3486
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0186	0.0325
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1433	0.586
Onchocerca volvulus		0.0056	0.0953	0.1308
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0096	0.2228	0.9357
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0139	0.3589	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0186	0.0154
Onchocerca volvulus		0.003	0.0112	0.0018
Entamoeba histolytica	aldose reductase, putative	0.0101	0.2374	0.6517
Trichomonas vaginalis	aldo-keto reductase, putative	0.0101	0.2374	0.3486
Brugia malayi	Intermediate filament tail domain containing protein	0.0056	0.0953	0.1518
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0043	0.0535	0.0666
Trypanosoma cruzi	aldo/keto reductase, putative	0.0101	0.2374	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.2373	0.415
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.2373	0.4045
Onchocerca volvulus		0.0056	0.0953	0.1308
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0112	0.008
Echinococcus granulosus	GPCR family 2	0.0032	0.0186	0.0154
Schistosoma mansoni	hypothetical protein	0.0069	0.136	0.155
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1433	0.586
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1433	0.586
Leishmania major	cathepsin L-like protease	0.0071	0.1433	0.586
Echinococcus multilocularis	aldo keto reductase	0.0101	0.2374	0.2349
Loa Loa (eye worm)	oxidoreductase	0.0101	0.2374	0.4152
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0101	0.2374	0.4047
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0101	0.2374	0.4047
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0101	0.2374	0.2349
Loa Loa (eye worm)	hypothetical protein	0.003	0.0112	0.0196
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.0127	0.0222
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1433	0.586
Trichomonas vaginalis	aldo-keto reductase, putative	0.0101	0.2374	0.3486
Trypanosoma brucei	prostaglandin f synthase	0.0101	0.2374	1
Schistosoma mansoni	thyroid hormone receptor	0.0286	0.8227	1
Leishmania major	cathepsin L-like protease	0.0071	0.1433	0.586
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0139	0.3589	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0139	0.3589	0.5349
Loa Loa (eye worm)	oxidoreductase	0.0101	0.2374	0.4152
Trichomonas vaginalis	aldo-keto reductase, putative	0.0101	0.2374	0.3486
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.1433	0.586
Onchocerca volvulus		0.0101	0.2374	0.3486
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0101	0.2374	0.2349
Onchocerca volvulus		0.0101	0.2374	0.3486
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1433	0.586
Trichomonas vaginalis	aldo-keto reductase, putative	0.0101	0.2374	0.3486
Leishmania major	hypothetical protein, conserved	0.0043	0.0535	0.1909
Leishmania major	aldo-keto reductase-like protein	0.0101	0.2374	1
Schistosoma mansoni	lamin	0.0056	0.0953	0.1049
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0186	0.0325
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0139	0.3589	0.621
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0535	0.1909
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0101	0.2374	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0261	0.7435	0.7427
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0101	0.2374	0.2349
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0101	0.2374	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.1433	0.586
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0101	0.2374	0.4047
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0112	0.0014

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 621348