TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 449.451 | Formula: C22H27NO9
H donors: 4 H acceptors: 7 LogP: 2.43 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(C/C=C(/CCC(=O)N[C@H](C(=O)O)CCC(=O)O)\C)c(O)c2c(c1C)COC2=O
InChi: 1S/C22H27NO9/c1-11(5-8-16(24)23-15(21(28)29)7-9-17(25)26)4-6-13-19(27)18-14(10-32-22(18)30)12(2)20(13)31-3/h4,15,27H,5-10H2,1-3H3,(H,23,24)(H,25,26)(H,28,29)/b11-4+/t15-/m0/s1
InChiKey: BXZCAVDRFWEBDU-GZOXUHRPSA-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	tar DNA-binding protein	0.0192	0.4504	0.453
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0042	0.0856	0.3397
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0044
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0856	0.3397
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.003	0.0563	0.1175
Plasmodium falciparum	endoplasmin, putative	0.0019	0.0311	0.345
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0626	0.1282
Trichomonas vaginalis	heat shock protein, putative	0.0025	0.0452	0.1794
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0042	0.0856	0.3397
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0608	0.0938
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0025	0.0452	0.1039
Onchocerca volvulus		0.0029	0.0548	0.0399
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0013	0.0155	0.014
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.07	0.0691
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0102	0.2325	0.5101
Trichomonas vaginalis	heat shock protein, putative	0.0019	0.0311	0.1236
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0303	0.0628
Echinococcus granulosus	GPCR family 2	0.0032	0.0626	0.0616
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0856	0.3397
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0856	0.3397
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0303	0.0628
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Brugia malayi	aryl hydrocarbon receptor nuclear translocator protein, putative	0.0042	0.0856	0.1799
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.0212	0.0243
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.011	0.2519	1
Leishmania major	ATP-dependent phosphofructokinase	0.011	0.2519	1
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.2519	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.0212	0.0154
Trichomonas vaginalis	guanylate cyclase beta 1 subunit, putative	0.0042	0.0856	0.3397
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.003	0.0563	0.9008
Schistosoma mansoni	heat shock protein	0.0032	0.0608	0.0599
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Treponema pallidum	heat shock protein 90	0.0025	0.0452	0.0671
Echinococcus granulosus	cpg binding protein	0.0031	0.0588	0.0578
Plasmodium vivax	endoplasmin, putative	0.0032	0.0608	1
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.003	0.0563	0.5
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0563	0.2237
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0212	0.0199
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Schistosoma mansoni	cpg binding protein	0.0029	0.0548	0.0537
Schistosoma mansoni	cpg binding protein	0.0031	0.0588	0.0578
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.2519	1
Echinococcus granulosus	voltage gated potassium channel	0.0042	0.0856	0.0848
Schistosoma mansoni	tar DNA-binding protein	0.0192	0.4504	0.453
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0608	0.0938
Mycobacterium ulcerans	6-phosphofructokinase	0.011	0.2519	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0042	0.0856	0.1799
Trichomonas vaginalis	heat shock protein, putative	0.0032	0.0608	0.2416
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0042	0.0856	0.0848
Echinococcus granulosus	dnaJ subfamily B	0.0415	0.9922	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Loa Loa (eye worm)	6-phosphofructokinase	0.011	0.2519	0.2475
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0.0212	0.056
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0025	0.0452	0.1257
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0015	0.0212	0.1267
Echinococcus multilocularis	heat shock protein 90	0.0032	0.0608	0.0599
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0.0212	0.056
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0015	0.0212	0.0243
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0856	0.3397
Schistosoma mansoni	heat shock protein	0.0013	0.0155	0.014
Trypanosoma cruzi	heat shock protein 85, putative	0.0025	0.0452	0.1257
Echinococcus granulosus	endoplasmin	0.0025	0.0452	0.0441
Schistosoma mansoni	hypothetical protein	0.0032	0.0626	0.0616
Trypanosoma cruzi	heat shock protein 90, putative	0.0019	0.0293	0.0587
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0042	0.0856	0.3397
Schistosoma mansoni	hypothetical protein	0.0032	0.0626	0.0616
Entamoeba histolytica	heat shock protein 90, putative	0.0032	0.0608	0.1919
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0856	0.3397
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0032	0.0608	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0055	0.1181	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.003	0.0563	0.1729
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.0856	0.0848
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.003	0.0563	0.8526
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0548	0.0492
Trypanosoma cruzi	heat shock protein 85, putative	0.0032	0.0608	0.1919
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0626	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0856	0.0802
Schistosoma mansoni	hypothetical protein	0.0032	0.0626	0.0616
Schistosoma mansoni	tar DNA-binding protein	0.0192	0.4504	0.453
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Giardia lamblia	Grp94/Hsp90	0.0025	0.0452	0.4871
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Entamoeba histolytica	phosphofructokinase, putative	0.011	0.2519	1
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.1538	0.3333
Brugia malayi	RNA recognition motif domain containing protein	0.0192	0.4504	1
Loa Loa (eye worm)	hypothetical protein	0.0102	0.2325	0.2279
Brugia malayi	Endoplasmin precursor	0.0032	0.0608	0.1243
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0856	0.3397
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0025	0.0452	0.0441
Brugia malayi	TAR-binding protein	0.0192	0.4504	1
Loa Loa (eye worm)	heat shock protein 90	0.0032	0.0608	0.0553
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.2519	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0303	0.029
Trichomonas vaginalis	adenylate cyclase type, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0856	0.3397
Schistosoma mansoni	hypothetical protein	0.007	0.1538	0.1537
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0303	0.1204
Schistosoma mansoni	hypothetical protein	0.0042	0.0856	0.0848
Brugia malayi	RNA binding protein	0.0192	0.4504	1
Schistosoma mansoni	tar DNA-binding protein	0.0192	0.4504	0.453
Schistosoma mansoni	6-phosphofructokinase	0.011	0.2519	0.2527
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0042	0.0856	0.3397
Mycobacterium leprae	Possible transporter protein	0.0042	0.0856	0.1954
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Toxoplasma gondii	exonuclease III APE	0.0019	0.0303	0.1448
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Schistosoma mansoni	heat shock protein	0.0032	0.0608	0.0599
Toxoplasma gondii	heat shock protein HSP90	0.0032	0.0608	0.4423
Plasmodium falciparum	heat shock protein 90	0.0032	0.0608	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0303	0.029
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	adenylate cyclase type III, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	heat shock protein, putative	0.0025	0.0452	0.1794
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0856	0.3397
Brugia malayi	phosphofructokinase	0.011	0.2519	0.5538
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0015	0.0212	0.0119
Brugia malayi	isocitrate dehydrogenase	0.0015	0.0212	0.0351
Echinococcus granulosus	heat shock protein	0.0032	0.0608	0.0599
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0626	0.0616
Echinococcus multilocularis	heat shock protein 90	0.0025	0.0452	0.0441
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0042	0.0856	0.3397
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.0856	0.0848
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0608	0.0938
Echinococcus multilocularis	voltage gated potassium channel	0.0042	0.0856	0.0848
Trichomonas vaginalis	intestinal guanylate cyclase, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Mycobacterium ulcerans	heat shock protein 90	0.0025	0.0452	0.0671
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.0212	0.0199
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0025	0.0452	1
Trypanosoma brucei	Heat shock protein 83, putative	0.0032	0.0608	0.0938
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0303	0.0628
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0856	0.3397
Trichomonas vaginalis	heat shock protein, putative	0.0013	0.0155	0.0614
Entamoeba histolytica	hypothetical protein	0.0035	0.07	0.2308
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.0212	0.0119
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.0212	0.0199
Plasmodium vivax	heat shock protein 86, putative	0.0032	0.0608	1
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.011	0.2519	1
Trichomonas vaginalis	adenylate cyclase type, putative	0.0042	0.0856	0.3397
Echinococcus multilocularis	dnaJ subfamily B	0.0415	0.9922	1
Brugia malayi	Hsp90 protein	0.0013	0.0155	0.0222
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0102	0.2325	0.2279
Brugia malayi	heat shock protein 90	0.0032	0.0608	0.1243
Schistosoma mansoni	endoplasmin	0.0032	0.0608	0.0599
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Echinococcus granulosus	single minded 2	0.0042	0.0856	0.0848
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Plasmodium vivax	6-phosphofructokinase, putative	0.003	0.0563	0.9008
Trichomonas vaginalis	guanylate cyclase beta 2 subunit, putative	0.0042	0.0856	0.3397
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0608	0.0938
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0856	0.3397
Entamoeba histolytica	hypothetical protein	0.0035	0.07	0.2308
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0303	0.0628
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Loa Loa (eye worm)	6-phosphofructokinase	0.011	0.2519	0.2475
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Brugia malayi	6-phosphofructokinase	0.011	0.2519	0.5538
Echinococcus multilocularis	6 phosphofructokinase	0.011	0.2519	0.2527
Loa Loa (eye worm)	endoplasmin	0.0032	0.0608	0.0553
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.003	0.0563	0.5
Loa Loa (eye worm)	RNA binding protein	0.0192	0.4504	0.4471
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.003	0.0563	0.9008
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0626	0.0616
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0856	0.3397
Schistosoma mansoni	ap endonuclease	0.0019	0.0303	0.029
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.07	0.0691
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0303	0.0246
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.0212	0.0199
Entamoeba histolytica	phosphofructokinase, putative	0.011	0.2519	1
Trypanosoma brucei	heat shock protein 90, putative	0.0032	0.0608	0.0938
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.0856	0.0848
Toxoplasma gondii	heat shock protein 90, putative	0.0032	0.0608	0.4423
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0856	0.3397
Trichomonas vaginalis	hypothetical protein	0.0042	0.0856	0.3397
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	adenylate cyclase type III, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0856	0.3397
Entamoeba histolytica	hypothetical protein	0.0035	0.07	0.2308
Trichomonas vaginalis	endoplasmin, putative	0.0019	0.0311	0.1236
Schistosoma mansoni	ap endonuclease	0.0019	0.0303	0.029
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.0212	0.0351
Trypanosoma cruzi	heat shock protein 90, putative	0.0032	0.0608	0.1919
Schistosoma mansoni	hypothetical protein	0.0035	0.07	0.0691
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0044
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0608	0.0938
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0563	0.2237
Trypanosoma cruzi	Heat shock protein 83, putative	0.0032	0.0608	0.1919
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0856	0.3397
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.0856	0.0848
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0563	0.2237
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0015	0.0212	0.1267
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0042	0.0856	0.0848
Loa Loa (eye worm)	TAR-binding protein	0.0192	0.4504	0.4471
Trichomonas vaginalis	phosphofructokinase, putative	0.011	0.2519	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0303	0.0307
Entamoeba histolytica	heat shock protein 90, putative	0.0032	0.0608	0.1919
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.0212	0.0199
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0626	0.1282
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0563	0.2237
Toxoplasma gondii	phosphofructokinase PFKII	0.003	0.0563	0.3984
Trichomonas vaginalis	adenylate cyclase type IX, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0563	0.2237
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Plasmodium vivax	6-phosphofructokinase, putative	0.003	0.0563	0.9008
Loa Loa (eye worm)	hypothetical protein	0.007	0.1538	0.1488
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.07	0.0691
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.1341	0.1338
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0856	0.3397
Trypanosoma cruzi	heat shock protein 85, putative	0.0032	0.0608	0.1919
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0856	0.3397
Schistosoma mansoni	60S ribosomal protein L21	0.0042	0.0856	0.0848
Trypanosoma brucei	RNA helicase, putative	0.0212	0.4993	1
Trichomonas vaginalis	adenylate cyclase type vIII, putative	0.0042	0.0856	0.3397
Onchocerca volvulus		0.0418	1	1
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0856	0.3397
Entamoeba histolytica	hypothetical protein	0.0035	0.07	0.2308
Schistosoma mansoni	6-phosphofructokinase	0.011	0.2519	0.2527
Loa Loa (eye worm)	phosphofructokinase	0.011	0.2519	0.2475
Echinococcus granulosus	heat shock protein 90	0.0025	0.0452	0.0441
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.003	0.0563	0.3984
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0303	0.1204
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0212	0.0199
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.011	0.2519	0.4886
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0025	0.0452	0.4871
Loa Loa (eye worm)	heat shock protein 75	0.0013	0.0155	0.0097
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0303	0.3273
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.0212	0.0243
Trichomonas vaginalis	adenylyl cyclase type V, putative	0.0042	0.0856	0.3397
Trypanosoma cruzi	heat shock protein 90, putative	0.0025	0.0452	0.1257
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0303	0.3273
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0212	0.0199
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	adenylate cyclase type VI, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Echinococcus granulosus	tar DNA binding protein	0.0192	0.4504	0.453
Echinococcus granulosus	6 phosphofructokinase	0.011	0.2519	0.2527
Schistosoma mansoni	hypothetical protein	0.0415	0.9922	1
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Trichomonas vaginalis	6-phosphofructokinase, putative	0.003	0.0563	0.2237
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0856	0.3397
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0042	0.0856	0.3397
Echinococcus multilocularis	heat shock protein	0.0032	0.0608	0.0599
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0626	0.0571
Schistosoma mansoni	hypothetical protein	0.0032	0.0626	0.0616
Trichomonas vaginalis	phosphofructokinase, putative	0.003	0.0563	0.2237
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0626	0.0616
Schistosoma mansoni	cpg binding protein	0.0031	0.0588	0.0578
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0608	0.0938
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.0856	0.0848
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.011	0.2519	1
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0856	0.3397
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Schistosoma mansoni	tar DNA-binding protein	0.0192	0.4504	0.453
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0192	0.4504	0.4471
Toxoplasma gondii	6-phosphofructokinase	0.003	0.0563	0.3984
Echinococcus granulosus	heat shock protein 90	0.0032	0.0608	0.0599
Trypanosoma cruzi	heat shock protein 85, putative	0.0032	0.0608	0.1919
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0856	0.3397
Schistosoma mansoni	endoplasmin	0.0032	0.0608	0.0599
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0303	0.0556
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0608	0.0938
Entamoeba histolytica	phosphofructokinase, putative	0.011	0.2519	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0042	0.0856	0.3397
Leishmania major	heat shock protein 83-1	0.0032	0.0608	0.1919
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0102	0.2325	0.5101
Trypanosoma brucei	heat shock protein 90, putative	0.0032	0.0608	0.0938
Trichomonas vaginalis	adenylate cyclase, putative	0.0042	0.0856	0.3397
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0303	0.0395
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0626	0.0571
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0626	0.0616
Brugia malayi	hypothetical protein	0.0035	0.07	0.1449
Echinococcus multilocularis	cpg binding protein	0.0031	0.0588	0.0578
Brugia malayi	6-phosphofructokinase	0.011	0.2519	0.5538
Trichomonas vaginalis	adenylate cyclase type, putative	0.0042	0.0856	0.3397
Schistosoma mansoni	hypothetical protein	0.0212	0.4993	0.5025
Echinococcus multilocularis	endoplasmin	0.0025	0.0452	0.0441
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0548	0.1106
Trypanosoma brucei	heat shock protein, putative	0.0032	0.0608	0.0938
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0013	0.0155	0.014
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.011	0.2519	1
Trichomonas vaginalis	heat shock protein, putative	0.0025	0.0452	0.1794
Echinococcus multilocularis	tar DNA binding protein	0.0192	0.4504	0.453
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0042	0.0856	0.3397
Trypanosoma brucei	STE group serine/threonine-protein kinase, putative	0.0045	0.0925	0.1592

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.0065 uM	Antiproliferative activity against human PBMC assessed as incorporation of [3H]thymidine after 18 hrs by scintillation counting analysis	ChEMBL.	24121309
IC50 (ADMET)	= 32.56 uM	Cytotoxicity against human Jurkat cells after 48 hrs by MTT assay	ChEMBL.	24121309

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	24121309

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

ChEMBL: CHEMBL2437270

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1788887