TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 288.297 | Formula: C14H9FN2O2S
H donors: 0 H acceptors: 2 LogP: 4.01 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)S/C=C/c1ccc2c(c1)[n+]([O-])on2
InChi: 1S/C14H9FN2O2S/c15-11-2-4-12(5-3-11)20-8-7-10-1-6-13-14(9-10)17(18)19-16-13/h1-9H/b8-7+
InChiKey: UTTQQQCROYGIOH-BQYQJAHWSA-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
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0122617	0.0246952	0.0611489
Entamoeba histolytica	casein kinase, putative	0.0141691	0.0306265	0.61571
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0886913	0.262359	0.552701
Entamoeba histolytica	protein kinase, putative	0.019619	0.0475733	1
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0160752	0.0365537	0.729376
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.00765041	0.0103562	0.0075758
Echinococcus granulosus	dual specificity	0.00765041	0.0103562	0.0143484
Trichomonas vaginalis	conserved hypothetical protein	0.0160752	0.0365537	1
Brugia malayi	Reprolysin	0.0113593	0.0218891	0.0325235
Trichomonas vaginalis	CMGC family protein kinase	0.00765041	0.0103562	0.117919
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0160752	0.0365537	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0160752	0.0365537	0.729376
Loa Loa (eye worm)	hypothetical protein	0.00623667	0.00596002	0.0127042
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Loa Loa (eye worm)	calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase	0.0160752	0.0365537	0.0779167
Plasmodium falciparum	phosphodiesterase delta, putative	0.0160752	0.0365537	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Schistosoma mansoni	ADAMTS14 peptidase (M12 family)	0.0113593	0.0218891	0.0492161
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	0.729376
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.0160752	0.0365537	0.0972192
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Echinococcus multilocularis	adam	0.0240328	0.0612985	0.180617
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0160752	0.0365537	0.0998534
Echinococcus granulosus	dual 3'5' cyclic AMP and GMP phosphodiesterase	0.0160752	0.0365537	0.0998534
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0122617	0.0246952	0.60072
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0160752	0.0365537	0.0642455
Loa Loa (eye worm)	hypothetical protein	0.0160752	0.0365537	0.0779167
Loa Loa (eye worm)	hypothetical protein	0.139114	0.419151	0.893449
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0160752	0.0365537	0.0998534
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0122617	0.0246952	0.481209
Trichomonas vaginalis	CMGC family protein kinase	0.00765041	0.0103562	0.117919
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0160752	0.0365537	0.0972192
Trichomonas vaginalis	CMGC family protein kinase	0.0141691	0.0306265	0.80043
Plasmodium falciparum	casein kinase 2, alpha subunit	0.0141691	0.0306265	0.80043
Entamoeba histolytica	hypothetical protein	0.019619	0.0475733	1
Leishmania major	hypothetical protein, conserved	0.0160752	0.0365537	0.729376
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.0160752	0.0365537	0.0642455
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.00765041	0.0103562	0.0860076
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Entamoeba histolytica	protein kinase, putative	0.00765041	0.0103562	0.156054
Echinococcus granulosus	adam	0.0240328	0.0612985	0.180617
Echinococcus granulosus	high affinity cgmp specific 3' 5' cyclic	0.0160752	0.0365537	0.0998534
Echinococcus granulosus	dual specificity	0.019619	0.0475733	0.13582
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Echinococcus multilocularis	high affinity cgmp specific 3' 5' cyclic	0.0160752	0.0365537	0.0998534
Leishmania major	hypothetical protein, conserved	0.0160752	0.0365537	0.729376
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0886913	0.262359	0.559236
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Echinococcus multilocularis	calcium:calmodulin dependent 3',5' cyclic	0.0160752	0.0365537	0.0998534
Echinococcus multilocularis	dual specificity	0.00765041	0.0103562	0.0143484
Trichomonas vaginalis	CMGC family protein kinase	0.00765041	0.0103562	0.117919
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0122617	0.0246952	0.60072
Schistosoma mansoni	serine/threonine protein kinase	0.019619	0.0475733	0.133291
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0122617	0.0246952	0.0385935
Trypanosoma cruzi	hypothetical protein, conserved	0.0160752	0.0365537	0.729376
Echinococcus granulosus	subfamily M12B unassigned peptidase	0.0113593	0.0218891	0.0519903
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.019619	0.0475733	1
Mycobacterium ulcerans	arylamine N-acetyltransferase Nat	0.325907	1	1
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.0160752	0.0365537	0.729376
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	0.729376
Loa Loa (eye worm)	hypothetical protein	0.0193315	0.0466793	0.0995001
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.00794166	0.0112618	0.00953486
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0160752	0.0365537	1
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.104767	0.312346	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Brugia malayi	Uncharacterized hematopoietic stem/progenitor cells protein MDS029	0.0165883	0.0381491	0.0676966
Loa Loa (eye worm)	hypothetical protein	0.155189	0.469138	1
Plasmodium falciparum	phosphodiesterase gamma, putative	0.0160752	0.0365537	1
Trypanosoma brucei	Casein kinase II	0.0141691	0.0306265	0.583815
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0122617	0.0246952	0.0584015
Brugia malayi	hypothetical protein	0.0240328	0.0612985	0.117773
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.00794166	0.0112618	0.0173043
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Loa Loa (eye worm)	hypothetical protein	0.0160752	0.0365537	0.0779167
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0160752	0.0365537	1
Brugia malayi	angiogenesis inhibito	0.0251992	0.0649253	0.125618
Loa Loa (eye worm)	hypothetical protein	0.0721183	0.210824	0.449385
Trichomonas vaginalis	CMGC family protein kinase	0.0141691	0.0306265	0.80043
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0160752	0.0365537	0.729376
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.0160752	0.0365537	0.0642455
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.0160752	0.0365537	0.729376
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Trichomonas vaginalis	CMGC family protein kinase	0.00765041	0.0103562	0.117919
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Trypanosoma brucei	hypothetical protein, conserved	0.0160752	0.0365537	0.729376
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Loa Loa (eye worm)	reprolysin	0.0113593	0.0218891	0.0466581
Onchocerca volvulus	Papilin homolog	0.0186446	0.0445433	1
Entamoeba histolytica	protein kinase domain containing protein	0.0141691	0.0306265	0.61571
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.155189	0.469138	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Entamoeba histolytica	protein kinase, putative	0.019619	0.0475733	1
Brugia malayi	Casein kinase II, alpha chain	0.0141691	0.0306265	0.051424
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Mycobacterium tuberculosis	Arylamine N-acetyltransferase Nat (arylamine acetylase)	0.325907	1	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Echinococcus granulosus	cdgsh iron sulfur domain containing protein	0.0393798	0.109021	0.336376
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0160752	0.0365537	0.729376
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0160752	0.0365537	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0118986	0.0235663	0.455611
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.00765041	0.0103562	0.011464
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0160752	0.0365537	0.0972192
Echinococcus multilocularis	subfamily M12B unassigned peptidase	0.0113593	0.0218891	0.0519903
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Entamoeba histolytica	protein kinase domain containing protein	0.019619	0.0475733	1
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.0141691	0.0306265	0.80043
Leishmania major	cAMP-specific phosphodiesterase, putative	0.0160752	0.0365537	0.729376
Echinococcus multilocularis	dual specificity	0.019619	0.0475733	0.13582
Echinococcus granulosus	dual specificity protein kinase clk2	0.00652416	0.006854	0.00291783
Giardia lamblia	hypothetical protein	0.0160752	0.0365537	0.102761
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0122617	0.0246952	0.43815
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0113593	0.0218891	0.0492161
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Trichomonas vaginalis	CMGC family protein kinase	0.00765041	0.0103562	0.117919
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0160752	0.0365537	0.729376
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.00652416	0.006854	0.0146098
Trichomonas vaginalis	CMGC family protein kinase	0.0141691	0.0306265	0.80043
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0113593	0.0218891	0.0492161
Echinococcus multilocularis	casein kinase ii subunit alpha	0.0141691	0.0306265	0.080508
Brugia malayi	Protein kinase domain containing protein	0.019619	0.0475733	0.0880828
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.00765041	0.0103562	0.0220749
Loa Loa (eye worm)	angiogenesis inhibito	0.0125256	0.025516	0.054389
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.104767	0.312346	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Loa Loa (eye worm)	metalloprotease	0.0113593	0.0218891	0.0466581
Echinococcus multilocularis	cdgsh iron sulfur domain containing protein	0.0393798	0.109021	0.336376
Echinococcus multilocularis	dual specificity protein kinase clk2	0.00652416	0.006854	0.00291783
Loa Loa (eye worm)	hypothetical protein	0.0126736	0.025976	0.0553696
Trypanosoma cruzi	hypothetical protein, conserved	0.0160752	0.0365537	0.729376
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0160752	0.0365537	0.729376
Schistosoma mansoni	high-affinity cgmp-specific 35-cyclic phosphodiesterase	0.0160752	0.0365537	0.0972192
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.019619	0.0475733	1
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0160752	0.0365537	0.0972192
Entamoeba histolytica	hypothetical protein	0.00975731	0.0169077	0.304619
Echinococcus granulosus	dual specificity	0.00765041	0.0103562	0.0143484
Giardia lamblia	Kinase, CMGC DYRK	0.00765041	0.0103562	0.0175328
Trypanosoma cruzi	hypothetical protein, conserved	0.0160752	0.0365537	0.729376
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0160752	0.0365537	0.729376
Schistosoma mansoni	calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase	0.0160752	0.0365537	0.0972192
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0160752	0.0365537	0.0972192
Trypanosoma cruzi	hypothetical protein, conserved	0.0160752	0.0365537	0.729376
Echinococcus multilocularis	dual specificity	0.00765041	0.0103562	0.0143484
Schistosoma mansoni	serine/threonine protein kinase	0.00765041	0.0103562	0.011464
Giardia lamblia	Kinase, CMGC CK2	0.0141691	0.0306265	0.0834787
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0886913	0.262359	0.836849
Loa Loa (eye worm)	hypothetical protein	0.0165883	0.0381491	0.0813173
Trichomonas vaginalis	CMGC family protein kinase	0.0141691	0.0306265	0.80043
Trichomonas vaginalis	CMGC family protein kinase	0.0141691	0.0306265	0.80043
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0160752	0.0365537	1
Echinococcus granulosus	casein kinase ii subunit alpha	0.0141691	0.0306265	0.080508
Loa Loa (eye worm)	hypothetical protein	0.0113593	0.0218891	0.0466581
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.0160752	0.0365537	0.0998534
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.0240328	0.0612985	0.178219
Schistosoma mansoni	hypothetical protein	0.0415907	0.115896	0.356939
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0160752	0.0365537	0.0972192
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.104767	0.312346	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0160752	0.0365537	0.729376
Leishmania major	casein kinase II, putative	0.0141691	0.0306265	0.583815
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.104767	0.312346	1
Loa Loa (eye worm)	hypothetical protein	0.0186446	0.0445433	0.0949471
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Loa Loa (eye worm)	PDE1B protein	0.0160752	0.0365537	0.0779167
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.019619	0.0475733	0.101406
Schistosoma mansoni	protein kinase	0.0141691	0.0306265	0.0778172
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Trichomonas vaginalis	CMGC family protein kinase	0.0141691	0.0306265	0.80043
Echinococcus granulosus	dual specificity	0.00765041	0.0103562	0.0143484
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Loa Loa (eye worm)	hypothetical protein	0.0240328	0.0612985	0.130662
Brugia malayi	ADAMTS-like protease	0.0251992	0.0649253	0.125618
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0122617	0.0246952	0.0611489
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.00794166	0.0112618	0.0173043
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.00975731	0.0169077	0.304619
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.019619	0.0475733	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative	0.0160752	0.0365537	0.0642455
Trypanosoma cruzi	casein kinase II, putative	0.0141691	0.0306265	0.583815
Trichomonas vaginalis	conserved hypothetical protein	0.0160752	0.0365537	1
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0160752	0.0365537	0.0972192
Brugia malayi	ADAM-TS Spacer 1 family protein	0.0721183	0.210824	0.441222
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0122617	0.0246952	0.43815
Trypanosoma cruzi	cyclic nucleotide phosphodiesterase	0.0160752	0.0365537	0.729376
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0160752	0.0365537	0.729376
Plasmodium vivax	unspecified product	0.0141691	0.0306265	0.80043
Trichomonas vaginalis	CMGC family protein kinase	0.0141691	0.0306265	0.80043
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0160752	0.0365537	0.0642455
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Trypanosoma cruzi	hypothetical protein, conserved	0.0160752	0.0365537	0.729376
Loa Loa (eye worm)	hypothetical protein	0.0113593	0.0218891	0.0466581
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.00842166	0.0127544	0.198669
Echinococcus granulosus	high affinity cAMP specific 3'5' cyclic	0.0160752	0.0365537	0.0998534
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.104767	0.312346	1
Trichomonas vaginalis	CMGC family protein kinase	0.00765041	0.0103562	0.117919
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Trichomonas vaginalis	conserved hypothetical protein	0.0160752	0.0365537	1
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.0141691	0.0306265	0.0652825
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.00765041	0.0103562	0.0860076
Entamoeba histolytica	protein kinase domain containing protein	0.00765041	0.0103562	0.156054
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0160752	0.0365537	0.729376
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0160752	0.0365537	0.0998534
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.019619	0.0475733	1
Toxoplasma gondii	CMGC kinase, CK2 family	0.0141691	0.0306265	0.0778172
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0886913	0.262359	0.836849
Schistosoma mansoni	ADAMTS5 peptidase (M12 family)	0.0306072	0.0817421	0.245139
Echinococcus multilocularis	a disintegrin and metalloproteinase with	0.0306072	0.0817421	0.247342
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Echinococcus multilocularis	dual specificity	0.00765041	0.0103562	0.0143484
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Schistosoma mansoni	CDGSH-type Zn finger-containing protein-like protein	0.0415907	0.115896	0.356939
Loa Loa (eye worm)	phosphatidylinositol 3	0.00975731	0.0169077	0.03604
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.00842166	0.0127544	0.198669
Plasmodium vivax	cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0122617	0.0246952	0.60072
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Loa Loa (eye worm)	hypothetical protein	0.104767	0.312346	0.665786
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Schistosoma mansoni	camp-specific cyclic nucleotide phosphodiesterase	0.0160752	0.0365537	0.0972192
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Loa Loa (eye worm)	hypothetical protein	0.00794166	0.0112618	0.0240053
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.104767	0.312346	1
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Giardia lamblia	Hypothetical protein	0.0160752	0.0365537	0.102761
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0160752	0.0365537	0.0972192
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.00765041	0.0103562	0.0860076
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0160752	0.0365537	0.729376
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.104767	0.312346	1
Echinococcus granulosus	calcium:calmodulin dependent 3'5' cyclic	0.0160752	0.0365537	0.0998534
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0160752	0.0365537	1
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0160752	0.0365537	1
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.0160752	0.0365537	0.0998534
Giardia lamblia	Kinase, CMGC CLK	0.00652416	0.006854	0.00613915
Loa Loa (eye worm)	hypothetical protein	0.0193315	0.0466793	0.0995001
Echinococcus multilocularis	high affinity cAMP specific 3',5' cyclic	0.0160752	0.0365537	0.0998534
Plasmodium vivax	phosphodiesterase gamma, putative	0.0160752	0.0365537	1
Brugia malayi	metalloprotease	0.0113593	0.0218891	0.0325235
Echinococcus granulosus	a disintegrin and metalloproteinase with	0.0306072	0.0817421	0.247342

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Antiparasitic activity against Trypanosoma cruzi T2 epimastigotes assessed as growth inhibition at 25 uM after 5 days	ChEMBL.	20889239
IC50 (functional)	= 4.3 uM	Antileishmanial activity against Leishmania braziliensis MHOM/BR/00/LTB300 promastigotes assessed as parasite viability after 5 days by MTT assay	ChEMBL.	19837489
IC50 (functional)	= 5 uM	Antitrypanosomal activity against Trypanosoma cruzi Tulahuen 2 epimastigotes assessed as parasite growth inhibition after 5 days	ChEMBL.	19837489
IC50 (functional)	= 5.5 uM	Antitrypanosomal activity against Trypanosoma cruzi CL Brener epimastigotes assessed as parasite viability after 5 days by MTT assay	ChEMBL.	19837489
IC50 (ADMET)	= 35 uM	Cytotoxicity against mouse J774 macrophages after 48 hrs by MTT assay	ChEMBL.	19837489
Inhibition (binding)	= 47 %	Inhibition of Trypanosoma cruzi triosephosphate isomerase at 100 uM after 2 hrs	ChEMBL.	20889239
Inhibition (binding)	= 88 %	Inhibition of Trypanosoma cruzi triosephosphate isomerase at 400 uM after 2 hrs	ChEMBL.	20889239

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma cruzi	ChEMBL23	19837489
Leishmania braziliensis	ChEMBL23	19837489

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: CHEMBL568590

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1068423