TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 718.182 | Formula: C14H22IN6O14P3
H donors: 8 H acceptors: 13 LogP: -5.08 Rotable bonds: 14
Rule of 5 violations (Lipinski): 4
SMILES: ICC(=O)NCCNc1ncnc2c1ncn2C1OC(C(C1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
InChi: 1S/C14H22IN6O14P3/c15-3-8(22)16-1-2-17-12-9-13(19-5-18-12)21(6-20-9)14-11(24)10(23)7(33-14)4-32-37(28,29)35-38(30,31)34-36(25,26)27/h5-7,10-11,14,23-24H,1-4H2,(H,16,22)(H,28,29)(H,30,31)(H,17,18,19)(H2,25,26,27)
InChiKey: YJMAAQJJXDPSKX-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
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0045	0.0175	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Onchocerca volvulus	GPI ethanolamine phosphate transferase 1 homolog	0.0033	0.0057	0.0104
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0045	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0055	0.0273	0.0269
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0208	0.1727	0.168
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Brugia malayi	hypothetical protein	0.0045	0.0175	0.017
Trypanosoma cruzi	hypothetical protein, conserved	0.0171	0.1375	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0045	0.0175	0.0118
Onchocerca volvulus		0.0045	0.0175	0.0337
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0045	0.0175	0.0141
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0045	0.0175	0.0175
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0045	0.0175	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Schistosoma mansoni	hypothetical protein	0.0055	0.0273	0.0217
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0005	0.001
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Onchocerca volvulus		0.0045	0.0175	0.0337
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0045	0.0175	0.0118
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0045	0.0175	0.0118
Trypanosoma brucei	pyruvate kinase 1, putative	0.0038	0.011	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0005	0.0005
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0125	0.0936	0.6528
Onchocerca volvulus		0.0045	0.0175	0.0337
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0045	0.0175	0.0175
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0208	0.1727	0.168
Onchocerca volvulus		0.0045	0.0175	0.0337
Brugia malayi	endonuclease G, mitochondrial precursor	0.0125	0.0936	0.0931
Schistosoma mansoni	pcd6 interacting protein-related	0.0045	0.0175	0.0118
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0045	0.0175	0.0141
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0038	0.011	0.0311
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0045	0.0175	0.0175
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0555	0.5032	1
Echinococcus multilocularis		0.0045	0.0175	0.0141
Entamoeba histolytica	phosphatidylinositol-glycan biosynthesis class O protein, putative	0.0033	0.0057	0.0113
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0555	0.5032	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0045	0.0175	0.0506
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0555	0.5032	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Echinococcus granulosus	ectonucleotide	0.0175	0.1415	0.1366
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0045	0.0175	0.0118
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0045	0.0175	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0038	0.011	0.011
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0045	0.0175	0.0141
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0208	0.1727	0.1723
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0045	0.0175	0.0118
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0171	0.1375	1
Trypanosoma cruzi	endonuclease G, putative	0.0125	0.0936	0.6528
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0208	0.1727	0.168
Onchocerca volvulus	Pyruvate kinase homolog	0.0038	0.011	0.021
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0057	0.0057
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0045	0.0175	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0005	0.0005
Schistosoma mansoni	survival motor neuron protein	0.0055	0.0273	0.0217
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0045	0.0175	0.0141
Schistosoma mansoni	endonuclease related	0.0125	0.0936	0.0884
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0045	0.0175	0.0118
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.0449	0.4023	0.4023
Onchocerca volvulus		0.0045	0.0175	0.0337
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Loa Loa (eye worm)	hypothetical protein	0.0208	0.1727	0.1727
Echinococcus granulosus	pyruvate kinase	0.0038	0.011	0.0054
Trypanosoma cruzi	hypothetical protein, conserved	0.0171	0.1375	1
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0038	0.011	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0208	0.1727	0.1727
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0045	0.0175	0.0141
Brugia malayi	hypothetical protein	0.0045	0.0175	0.017
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0449	0.4023	0.402
Trypanosoma cruzi	endonuclease G, putative	0.0125	0.0936	0.6528
Onchocerca volvulus	GPI ethanolamine phosphate transferase 2 homolog	0.0033	0.0057	0.0104
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0208	0.1727	0.1699
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0555	0.5032	0.5032
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0045	0.0175	0.0347
Onchocerca volvulus	Ectonucleotide pyrophosphatase\/phosphodiesterase family member 6 homolog	0.0033	0.0057	0.0104
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0045	0.0175	0.0141
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0045	0.0175	0.0118
Onchocerca volvulus		0.0045	0.0175	0.0337
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0171	0.1375	0.2569
Trypanosoma brucei	endonuclease G, putative	0.0125	0.0936	0.6668
Onchocerca volvulus	Huntingtin homolog	0.0141	0.1086	0.2151
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0045	0.0175	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Echinococcus multilocularis	gpi ethanolamine phosphate transferase 3	0.0033	0.0057	0.0024
Onchocerca volvulus		0.0045	0.0175	0.0337
Loa Loa (eye worm)	pyruvate kinase	0.0038	0.011	0.011
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0208	0.1727	0.1699
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0045	0.0175	0.0118
Onchocerca volvulus		0.0208	0.1727	0.3426
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0045	0.0175	0.017
Schistosoma mansoni	protein tyrosine phosphatase	0.0045	0.0175	0.0118
Onchocerca volvulus		0.0045	0.0175	0.0337
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0045	0.0175	0.0175
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0555	0.5032	0.5029
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0208	0.1727	0.1699
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0208	0.1727	0.168
Giardia lamblia	Protein tyrosine phosphatase	0.0045	0.0175	0.0236
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0208	0.1727	0.168
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Onchocerca volvulus		0.0208	0.1727	0.3426
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0208	0.1727	0.1699
Echinococcus granulosus	survival motor neuron protein 1	0.0272	0.2333	0.2289
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.1077	1	1
Schistosoma mansoni	pyruvate kinase	0.0038	0.011	0.0054
Brugia malayi	hypothetical protein	0.0141	0.1086	0.1082
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.1077	1	1
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.1077	1	1
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0555	0.5032	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0045	0.0175	0.0118
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0038	0.011	0.0106
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0045	0.0175	0.0175
Onchocerca volvulus		0.0555	0.5032	1
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0045	0.0175	0.0141
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0045	0.0175	0.0175
Echinococcus multilocularis	hypothetical protein	0.0045	0.0175	0.0141
Mycobacterium leprae	hypothetical protein	0.0033	0.0057	0.4945
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0033	0.0057	0.0024
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0555	0.5032	1
Schistosoma mansoni	protein tyrosine phosphatase	0.0045	0.0175	0.0118
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Brugia malayi	hypothetical protein	0.0045	0.0175	0.017
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0045	0.0175	0.0506
Onchocerca volvulus	Pyruvate kinase homolog	0.0038	0.011	0.021
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0045	0.0175	0.0118
Echinococcus multilocularis	pyruvate kinase	0.0038	0.011	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0057	0.0057
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0038	0.011	1
Echinococcus multilocularis	transferase	0.0033	0.0057	0.0024
Trypanosoma brucei	protein tyrosine phosphatase 1	0.0045	0.0175	0.0891
Onchocerca volvulus	GPI ethanolamine phosphate transferase 3 homolog	0.0033	0.0057	0.0104
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0045	0.0175	0.0141
Onchocerca volvulus		0.0045	0.0175	0.0337
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0045	0.0175	0.0141
Onchocerca volvulus		0.0045	0.0175	0.0337
Onchocerca volvulus		0.0055	0.0273	0.0534
Leishmania major	pyruvate kinase	0.0038	0.011	0.0771
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0208	0.1727	0.168
Chlamydia trachomatis	pyruvate kinase	0.0038	0.011	0.5
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0045	0.0175	0.0118
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0045	0.0175	0.0118
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0045	0.0175	0.0118
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0045	0.0175	0.0141
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0045	0.0175	0.0175
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0045	0.0175	0.0175
Onchocerca volvulus	Pyruvate kinase homolog	0.0038	0.011	0.021
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0045	0.0175	0.0175
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0555	0.5032	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0208	0.1727	0.1699
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0045	0.0175	0.0141
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0045	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0057	0.0057
Trypanosoma brucei	pyruvate kinase 1	0.0038	0.011	0.0405
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0045	0.0175	0.0175
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0045	0.0175	0.0118
Brugia malayi	AEL166Cp	0.0033	0.0057	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0555	0.5032	1
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0045	0.0175	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0208	0.1727	0.1727
Brugia malayi	hypothetical protein	0.0045	0.0175	0.017
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0045	0.0175	0.0141
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0208	0.1727	0.168
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.0005	0.001
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0045	0.0175	0.0175
Echinococcus multilocularis	survival motor neuron protein 1	0.0272	0.2333	0.2307
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0555	0.5032	1
Onchocerca volvulus		0.0045	0.0175	0.0337
Entamoeba histolytica	phosphatidylinositol-glycan biosynthesis class O protein, putative	0.0033	0.0057	0.0113
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0555	0.5032	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Brugia malayi	Protein-tyrosine phosphatase	0.0045	0.0175	0.017
Giardia lamblia	Pyruvate kinase	0.0038	0.011	0.0107
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1086	0.1086
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0045	0.0175	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0033	0.0057	0.0052
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0045	0.0175	0.0175
Mycobacterium ulcerans	hypothetical protein	0.0033	0.0057	0.0104
Onchocerca volvulus	Ectonucleotide pyrophosphatase\/phosphodiesterase family member 7 homolog	0.0033	0.0057	0.0104
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0171	0.1375	0.2569
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0045	0.0175	0.0118
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0045	0.0175	0.0118
Schistosoma mansoni	pyruvate kinase	0.0038	0.011	0.0054
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Onchocerca volvulus		0.0045	0.0175	0.0337
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0045	0.0175	0.0141
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0045	0.0175	0.0175
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0045	0.0175	0.0118
Trypanosoma brucei	endonuclease G, putative	0.0125	0.0936	0.6668
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0045	0.0175	0.017
Leishmania major	hypothetical protein, conserved	0.0171	0.1375	1
Toxoplasma gondii	DNA/RNA non-specific endonuclease	0.0125	0.0936	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0045	0.0175	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Echinococcus multilocularis	ectonucleotide	0.0175	0.1415	0.1386
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0005	0.0005
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0208	0.1727	0.1699
Brugia malayi	Protein-tyrosine phosphatase	0.0045	0.0175	0.017
Leishmania major	protein-tyrosine phosphatase 1-like protein	0.0045	0.0175	0.1238
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Echinococcus granulosus	pyruvate kinase	0.0038	0.011	0.0054
Onchocerca volvulus		0.0045	0.0175	0.0337
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0045	0.0175	0.0347
Onchocerca volvulus		0.0045	0.0175	0.0337
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0045	0.0175	0.0175
Onchocerca volvulus		0.0045	0.0175	0.0337
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0045	0.0175	0.0118
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Onchocerca volvulus	4.1 G protein, putative homolog	0.0045	0.0175	0.0337
Brugia malayi	hypothetical protein	0.0045	0.0175	0.017
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1415	0.1415
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.0125	0.0936	0.6528
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0045	0.0175	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Echinococcus multilocularis	Alkaline phosphatase, core domain	0.0033	0.0057	0.0024
Trichomonas vaginalis	pten, drome, putative	0.0045	0.0175	0.013
Loa Loa (eye worm)	hypothetical protein	0.0272	0.2333	0.2333
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0208	0.1727	0.168
Echinococcus granulosus	Endonuclease G	0.0125	0.0936	0.0884
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.1077	1	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Loa Loa (eye worm)	pyruvate kinase	0.0038	0.011	0.011
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0384	0.3402	1
Echinococcus multilocularis	pyruvate kinase	0.0038	0.011	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Onchocerca volvulus		0.0045	0.0175	0.0337
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0045	0.0175	0.0141
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0045	0.0175	0.0118
Leishmania major	ethanolamine phosphotransferase, putative	0.0033	0.0057	0.0381
Loa Loa (eye worm)	type I phosphodiesterase/nucleotide pyrophosphatase	0.0033	0.0057	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Echinococcus multilocularis	Endonuclease G	0.0125	0.0936	0.0905
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Onchocerca volvulus		0.0045	0.0175	0.0337
Onchocerca volvulus		0.0045	0.0175	0.0337
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0045	0.0175	0.0118
Entamoeba histolytica	Pten 3-phosphoinositide phosphatase, putative	0.0045	0.0175	0.0347
Leishmania major	DNA/RNA non-specific endonuclease-like protein	0.0125	0.0936	0.6795
Trypanosoma brucei	endonuclease G, putative	0.0125	0.0936	0.6668
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0045	0.0175	0.0506
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0045	0.0175	0.0118
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0045	0.0175	0.0175
Echinococcus multilocularis	gpi ethanolamine phosphate transferase 1	0.0033	0.0057	0.0024
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0045	0.0175	0.0118
Onchocerca volvulus		0.0045	0.0175	0.0337
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0045	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0208	0.1727	0.168
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0057	0.0057
Brugia malayi	Protein-tyrosine phosphatase 1	0.0045	0.0175	0.017
Leishmania major	endonuclease G, putative	0.0125	0.0936	0.6795
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0033	0.0057	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1086	0.1086
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0045	0.0175	0.0141
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0045	0.0175	0.0118
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0045	0.0175	0.0175
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Onchocerca volvulus	Huntingtin homolog	0.0141	0.1086	0.2151
Leishmania major	pyruvate kinase	0.0038	0.011	0.0771
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0045	0.0175	0.0141
Schistosoma mansoni	protein tyrosine phosphatase	0.0045	0.0175	0.0118
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0005	0.001
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Brugia malayi	hypothetical protein	0.0033	0.0057	0.0052
Onchocerca volvulus		0.0045	0.0175	0.0337
Onchocerca volvulus		0.0045	0.0175	0.0337
Onchocerca volvulus		0.0045	0.0175	0.0337
Brugia malayi	hypothetical protein	0.0033	0.0057	0.0052
Loa Loa (eye worm)	pyruvate kinase	0.0038	0.011	0.011
Mycobacterium ulcerans	pyruvate kinase	0.0038	0.011	0.021
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0045	0.0175	0.0118
Brugia malayi	hypothetical protein	0.0272	0.2333	0.2329
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0045	0.0175	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0175	0.1415	0.1366
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Plasmodium vivax	pyruvate kinase, putative	0.0038	0.011	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0175	0.0175
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0045	0.0175	0.017
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0045	0.0175	0.0118
Schistosoma mansoni	hypothetical protein	0.0449	0.4023	0.3989
Plasmodium falciparum	pyruvate kinase	0.0038	0.011	1
Onchocerca volvulus		0.0045	0.0175	0.0337
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0175	0.1415	0.1386
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0045	0.0175	0.0118
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0555	0.5032	1
Leishmania major	tyrosine specific protein phosphatase, putative	0.0045	0.0175	0.1238
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0045	0.0175	0.0141
Onchocerca volvulus		0.0449	0.4023	0.7994

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 0 %	Compound was tested for the lose of thymidine kinase activity after 6 h, at 0 degrees celsius , with 10 mM ATP derivative . values were expressed in percent	ChEMBL.	7040662
Inhibition (binding)	= 0 %	Compound was tested for time dependent inhibition of hexokinase activity after 6 h , at 0 degrees celsius, with 10 mM ATP derivative in yeast hexokinase	ChEMBL.	7040662
Inhibition (binding)	= 0 %	Time dependent inhibition of Hexokinase type I activity after 6 h, at 0 degrees celsius, at 10 mM compound	ChEMBL.	7040662
Inhibition (binding)	= 0 %	Time dependent inhibition of hexokinase 2 activity after 6 h, at 10 mM compound	ChEMBL.	7040662
Inhibition (binding)	= 0 %	Time dependent inhibition of Hexokinase type III activity after 6 h, at 0 degrees celsius, at 10 mM	ChEMBL.	7040662
Inhibition (binding)	= 3 %	Compound was tested for the initial inhibition of thymidine kinase by 1.4 mM compound in the presence of 5.7 mM ATP in Yeast	ChEMBL.	7040662
Ki (binding)	= 5.9 mM	Ability to inhibit rat adenylate kinase III, activity expressed as Inhibition constant	ChEMBL.	6279845
Km (ADMET)	= 0.4 mM	Ability to inhibit rat adenylate kinase III, activity expressed as half-maximal velocity	ChEMBL.	6279845
Km (ADMET)	= 1.6 mM	Ability to inhibit rat adenylate kinase II, activity expressed as half-maximal velocity	ChEMBL.	6279845
Relative velocity (binding)	= 0.34	Substrate activity against Rat hexokinase II as 1:1 Mg complex at 5.0 mM	ChEMBL.	7040662
Relative velocity (binding)	= 0.5	Substrate activity for rat hexokinase III as 1:1 Mg complex at 5.0 mM	ChEMBL.	7040662
Relative velocity (binding)	= 0.58	Substrate activity for rat hexokinase I as 1:1 Mg complex at 5.0 mM	ChEMBL.	7040662
Relative velocity (binding)	= 0.75	Substrate activity against yeast hexokinase as 1:1 Mg complexes at 5.0 mM	ChEMBL.	7040662
Velocity (binding)	= 35 %	Tested for the velocity of 2.8 mM compound relative to that of 2.8 mM MgATP in the assay	ChEMBL.	7040662
Vmax (ADMET)	= 2 %	Ability to inhibit rat adenylate kinase III, activity expressed as Maximum velocity	ChEMBL.	6279845
Vmax (ADMET)	= 5 %	Ability to inhibit rat adenylate kinase II, activity expressed as Maximum velocity	ChEMBL.	6279845

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

ChEMBL: 308514

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 217784