TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 489.624 | Formula: C26H35NO6S
H donors: 1 H acceptors: 2 LogP: 3.66 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCSCCOC(=C1C(=NC2=C(C1c1ccc(c(c1OC)OC)OC)C(=O)CC(C2)(C)C)C)O
InChi: 1S/C26H35NO6S/c1-8-34-12-11-33-25(29)20-15(2)27-17-13-26(3,4)14-18(28)22(17)21(20)16-9-10-19(30-5)24(32-7)23(16)31-6/h9-10,21,29H,8,11-14H2,1-7H3
InChiKey: WQCHZBNPINCZAG-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
Entamoeba histolytica	hypothetical protein	0.0037	0.0176	0.9031
Trypanosoma brucei	unspecified product	0.0027	0.0094	0.0353
Onchocerca volvulus	Huntingtin homolog	0.012	0.082	0.0732
Trypanosoma brucei	DNA polymerase kappa, putative	0.0027	0.0094	0.0353
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0227	0.1652	0.182
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.0187	0.0706
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0039	0.0187	0.0741
Schistosoma mansoni	hypothetical protein	0.0338	0.2523	1
Leishmania major	hypothetical protein, conserved	0.0025	0.008	0.0303
Echinococcus multilocularis	importin subunit beta 1	0.003	0.0118	0.013
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0187	0.0706
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0127	0.014
Plasmodium vivax	importin-beta 2, putative	0.003	0.0118	0.0447
Echinococcus granulosus	mothers against decapentaplegic 5	0.0016	0.0013	0.0014
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0187	0.0706
Mycobacterium ulcerans	hypothetical protein	0.0163	0.1158	0.5142
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.0187	0.0706
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0225	0.0851
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0113	0.0125
Onchocerca volvulus		0.0241	0.1761	0.1682
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0016	0.0013	0.0014
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0113	0.0125
Brugia malayi	Pre-SET motif family protein	0.0029	0.0113	0.0125
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.031	0.2301	0.8688
Echinococcus multilocularis	lamin	0.0027	0.0095	0.0105
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0095	0.0377
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0187	0.0706
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0016	0.0013	0.0052
Echinococcus multilocularis	tumor protein p63	0.0347	0.2592	0.2855
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0013	0.0052
Echinococcus multilocularis	survival motor neuron protein 1	0.1179	0.908	1
Schistosoma mansoni	hypothetical protein	0.0319	0.2369	0.9389
Onchocerca volvulus		0.0051	0.0282	0.0189
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0187	0.0706
Echinococcus granulosus	survival motor neuron protein 1	0.1179	0.908	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.008	0.0303
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0127	0.014
Echinococcus multilocularis	smad	0.0016	0.0013	0.0014
Brugia malayi	Telomerase reverse transcriptase	0.0943	0.7237	0.7971
Schistosoma mansoni	hypothetical protein	0.0031	0.0127	0.0504
Schistosoma mansoni	hypothetical protein	0.0031	0.0127	0.0504
Brugia malayi	hypothetical protein	0.1179	0.908	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0113	0.045
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0118	0.0447
Schistosoma mansoni	hypothetical protein	0.0338	0.2523	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0039	0.0187	0.0206
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0039	0.0187	0.1615
Trypanosoma brucei	DNA polymerase kappa, putative	0.0027	0.0094	0.0353
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0127	0.014
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.031	0.2301	0.8688
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0227	0.1652	0.6549
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0039	0.0187	0.1615
Schistosoma mansoni	survival motor neuron protein	0.0241	0.1761	0.6981
Schistosoma mansoni	hypothetical protein	0.0037	0.0176	0.0698
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0227	0.1652	0.182
Echinococcus multilocularis	geminin	0.0338	0.2523	0.2778
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.008	0.0303
Schistosoma mansoni	DNA polymerase eta	0.0039	0.0187	0.0741
Brugia malayi	MH2 domain containing protein	0.0016	0.0013	0.0014
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0016	0.0013	0.0014
Loa Loa (eye worm)	MH2 domain-containing protein	0.0016	0.0013	0.0014
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.008	0.0303
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0113	0.0429
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.008	0.0303
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0105	0.0116
Echinococcus granulosus	dna polymerase kappa	0.0039	0.0187	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0113	0.0125
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.0407	0.0448
Mycobacterium ulcerans	glutaminase	0.0281	0.2075	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.0648	0.0714
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0039	0.0187	0.0206
Trichomonas vaginalis	glutaminase, putative	0.0281	0.2075	1
Giardia lamblia	Telomerase catalytic subunit	0.0354	0.2648	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0187	0.0706
Brugia malayi	Pre-SET motif family protein	0.0204	0.1473	0.1622
Entamoeba histolytica	hypothetical protein	0.0037	0.0176	0.9031
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0127	0.014
Echinococcus multilocularis	Smad4	0.0016	0.0013	0.0014
Schistosoma mansoni	lamin	0.0027	0.0095	0.0377
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0147	0.1029	0.3885
Loa Loa (eye worm)	transcription factor SMAD2	0.024	0.1753	0.1931
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0039	0.0187	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0095	0.0105
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0074	0.0281
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.0648	0.0714
Entamoeba histolytica	hypothetical protein	0.0037	0.0176	0.9031
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.031	0.2301	0.8688
Brugia malayi	hypothetical protein	0.0016	0.0011	0.0013
Echinococcus granulosus	lamin dm0	0.0027	0.0095	0.0105
Loa Loa (eye worm)	glutaminase 2	0.0281	0.2075	0.2286
Loa Loa (eye worm)	Smad1	0.0016	0.0013	0.0014
Brugia malayi	MH1 domain containing protein	0.0016	0.0013	0.0014
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0187	0.0706
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0176	0.0194
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0044	0.0225	0.0851
Loa Loa (eye worm)	glutaminase	0.0281	0.2075	0.2286
Trypanosoma brucei	unspecified product	0.0039	0.0187	0.0706
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0227	0.1652	0.6549
Echinococcus granulosus	dna polymerase eta	0.0039	0.0187	0.0206
Schistosoma mansoni	hypothetical protein	0.0067	0.0407	0.1613
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0039	0.0187	0.0741
Plasmodium vivax	SET domain protein, putative	0.0029	0.0113	0.0429
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0176	0.0698
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.0187	0.0706
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0282	0.0311
Loa Loa (eye worm)	hypothetical protein	0.012	0.082	0.0903
Echinococcus granulosus	smad	0.0016	0.0013	0.0014
Loa Loa (eye worm)	MH1 domain-containing protein	0.0016	0.0013	0.0014
Echinococcus multilocularis	dna polymerase kappa	0.0039	0.0187	0.0206
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0074	0.0281
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0204	0.1473	0.1622
Brugia malayi	MH2 domain containing protein	0.024	0.1753	0.1931
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.008	0.0303
Loa Loa (eye worm)	MH2 domain-containing protein	0.024	0.1753	0.1931
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0127	0.014
Trichomonas vaginalis	set domain proteins, putative	0.0232	0.1692	0.8085
Trypanosoma brucei	DNA polymerase kappa, putative	0.0027	0.0094	0.0353
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0016	0.0013	0.0014
Echinococcus granulosus	geminin	0.0338	0.2523	0.2778
Brugia malayi	ImpB/MucB/SamB family protein	0.0039	0.0187	0.0206
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.0648	0.0714
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.008	0.0303
Leishmania major	DNA polymerase kappa, putative	0.0039	0.0187	0.0706
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0407	0.0448
Echinococcus granulosus	GPCR family 2	0.0031	0.0127	0.014
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0227	0.1652	0.182
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0113	0.045
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.008	0.0303
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.03	0.1132
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0227	0.1652	0.182
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0225	0.0851
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0039	0.0187	1
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0013	0.0052
Brugia malayi	hypothetical protein	0.0025	0.008	0.0088
Brugia malayi	glutaminase DH11.1	0.0281	0.2075	0.2286
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0118	0.0447
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.0187	0.0706
Toxoplasma gondii	hypothetical protein	0.005	0.0275	0.104
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0839	0.6426	0.7077
Schistosoma mansoni	Smad4	0.0016	0.0013	0.0052
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0163	0.1158	1
Echinococcus multilocularis	snurportin 1	0.0319	0.2369	0.2609
Schistosoma mansoni	glutaminase	0.0281	0.2075	0.8226
Loa Loa (eye worm)	hypothetical protein	0.012	0.082	0.0903
Schistosoma mansoni	hypothetical protein	0.0031	0.0127	0.0504
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0039	0.0187	0.0706
Echinococcus granulosus	lamin	0.0027	0.0095	0.0105
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0354	0.2648	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0118	0.013
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0127	0.014
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0147	0.1029	0.3885
Onchocerca volvulus		0.0029	0.0113	0.0019
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.0187	0.0706
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0354	0.2648	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0127	0.014
Loa Loa (eye worm)	hypothetical protein	0.1179	0.908	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0091	0.01
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0095	0.0105
Trypanosoma cruzi	DNA polymerase eta, putative	0.0039	0.0187	0.0706
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0095	0.0105
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0354	0.2648	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0147	0.1029	0.3885
Plasmodium falciparum	importin beta, putative	0.003	0.0118	0.0447
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0113	0.045
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0039	0.0187	0.0206
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0227	0.1652	0.182
Onchocerca volvulus		0.0232	0.1692	0.1612
Entamoeba histolytica	hypothetical protein	0.0037	0.0176	0.9031
Leishmania major	mitochondrial DNA polymerase beta	0.031	0.2301	0.8688
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0187	0.0706
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0039	0.0187	0.0562
Leishmania major	telomerase reverse transcriptase, putative	0.0354	0.2648	1
Brugia malayi	MH1 domain containing protein	0.0016	0.0013	0.0014
Schistosoma mansoni	smad1 5 8 and	0.0016	0.0013	0.0052
Schistosoma mansoni	importin beta-1	0.003	0.0118	0.0469
Brugia malayi	hypothetical protein	0.012	0.082	0.0903
Brugia malayi	hypothetical protein	0.0037	0.0176	0.0194
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0319	0.2369	0.2609
Brugia malayi	Importin beta-1 subunit	0.003	0.0118	0.013
Echinococcus granulosus	tumor protein p63	0.0347	0.2592	0.2855
Echinococcus granulosus	importin subunit beta 1	0.003	0.0118	0.013
Toxoplasma gondii	RNA-directed DNA polymerase	0.0354	0.2648	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0127	0.014
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0241	0.1761	0.194
Schistosoma mansoni	hypothetical protein	0.0241	0.1761	0.6981
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0648	0.0714
Echinococcus granulosus	Smad4	0.0016	0.0013	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0187	0.0206
Brugia malayi	Smad1	0.0016	0.0013	0.0014
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0227	0.1652	0.182
Onchocerca volvulus	Huntingtin homolog	0.012	0.082	0.0732
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0187	0.0706
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0095	0.0105
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0187	0.0706
Trypanosoma brucei	DNA polymerase eta, putative	0.0039	0.0187	0.0706
Leishmania major	DNA polymerase eta, putative	0.0039	0.0187	0.0706
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0113	0.0125
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0227	0.1652	0.6549
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.0118	0.0447
Echinococcus multilocularis	lamin dm0	0.0027	0.0095	0.0105
Echinococcus multilocularis	musashi	0.0027	0.0095	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0025	0.008	0.0088
Trypanosoma brucei	unspecified product	0.0027	0.0094	0.0353
Trichomonas vaginalis	DNA polymerase eta, putative	0.0039	0.0187	0.0562
Schistosoma mansoni	smad	0.0016	0.0013	0.0052
Echinococcus granulosus	snurportin 1	0.0319	0.2369	0.2609
Schistosoma mansoni	lamin	0.0027	0.0095	0.0377
Trypanosoma brucei	telomerase reverse transcriptase	0.0354	0.2648	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.0187	0.0706
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0113	0.045
Echinococcus granulosus	intermediate filament protein	0.0027	0.0095	0.0105
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.0187	0.0706
Brugia malayi	intermediate filament protein	0.0027	0.0095	0.0105
Brugia malayi	RNA, U transporter 1	0.0085	0.0547	0.0603
Brugia malayi	MH2 domain containing protein	0.0016	0.0013	0.0014
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0176	0.0194
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.0282	0.1118
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0044	0.0225	0.0851
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.0187	0.0706
Plasmodium falciparum	telomerase reverse transcriptase	0.0354	0.2648	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0127	0.014
Schistosoma mansoni	hypothetical protein	0.0031	0.0127	0.0504
Echinococcus multilocularis	dna polymerase eta	0.0039	0.0187	0.0206

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.

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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 758857