TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 552.577 | Formula: C31H28N4O6
H donors: 3 H acceptors: 3 LogP: 3.66 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc2cc([nH]c2c(c1OC)OC)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(c([nH]1)C)C(=O)Nc1ccccc1)C2
InChi: 1S/C31H28N4O6/c1-15-23(29(37)33-18-8-6-5-7-9-18)24-26(32-15)20(36)12-22-31(24)13-17(31)14-35(22)30(38)19-10-16-11-21(39-2)27(40-3)28(41-4)25(16)34-19/h5-12,17,32,34H,13-14H2,1-4H3,(H,33,37)/t17-,31+/m1/s1
InChiKey: VBJFYEJTHLGPIV-INZIPBBXSA-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
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0138	0.0373	0.4325
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0449	0.1528	0.1528
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0378	0.1266	0.1266
Trypanosoma brucei	endonuclease G, putative	0.027	0.0862	1
Brugia malayi	Protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0137	0.037	0.037
Schistosoma mansoni	hypothetical protein	0.0297	0.0962	0.0962
Onchocerca volvulus		0.0138	0.0373	0.0751
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0248	0.0783	0.9076
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0137	0.037	0.037
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0138	0.0373	0.0373
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0071	0.0122	0.0122
Onchocerca volvulus		0.0138	0.0373	0.0751
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0138	0.0373	0.0751
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0138	0.0373	0.0373
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0138	0.0373	0.0373
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.027	0.0862	1
Leishmania major	protein-tyrosine phosphatase 1-like protein	0.0138	0.0373	0.4325
Echinococcus granulosus	neuropeptide s receptor	0.042	0.1422	0.1422
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Entamoeba histolytica	Pten 3-phosphoinositide phosphatase, putative	0.0138	0.0373	0.0918
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0147	0.0405	0.0405
Brugia malayi	hypothetical protein	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0138	0.0373	0.0373
Schistosoma mansoni	hypothetical protein	0.0071	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0138	0.0373	0.0373
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0449	0.1528	0.1528
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0138	0.0373	0.0751
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0805	0.2853	1
Schistosoma mansoni	pcd6 interacting protein-related	0.0138	0.0373	0.0373
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0071	0.0122	0.0122
Onchocerca volvulus		0.0138	0.0373	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0051	0.005	0.005
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0138	0.0373	0.0373
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0449	0.1528	0.1528
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0138	0.0373	0.0751
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0079	0.0155	0.0097
Onchocerca volvulus		0.0138	0.0373	0.0751
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0805	0.2853	0.2853
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0138	0.0373	0.0751
Schistosoma mansoni	hypothetical protein	0.0071	0.0122	0.0122
Echinococcus granulosus	geminin	0.0297	0.0962	0.0962
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Leishmania major	tyrosine specific protein phosphatase, putative	0.0138	0.0373	0.4325
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Schistosoma mansoni	aldehyde dehydrogenase	0.0051	0.005	0.005
Schistosoma mansoni	protein tyrosine phosphatase	0.0138	0.0373	0.0373
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0138	0.0373	0.0373
Schistosoma mansoni	alpha-glucosidase	0.0118	0.0299	0.0299
Trypanosoma brucei	endonuclease G, putative	0.027	0.0862	1
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0805	0.2853	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0138	0.0373	0.0373
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0449	0.1528	0.1528
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0805	0.2853	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0051	0.005	0.005
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0147	0.0405	0.0405
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0449	0.1528	0.1528
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0122	0.0122
Brugia malayi	AEL166Cp	0.0071	0.0122	0.0122
Echinococcus multilocularis	Alkaline phosphatase, core domain	0.0071	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0138	0.0373	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Brugia malayi	hypothetical protein	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0138	0.0373	0.0751
Loa Loa (eye worm)	type I phosphodiesterase/nucleotide pyrophosphatase	0.0071	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0358	0.0358
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0147	0.0405	0.0405
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0147	0.0405	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0272	0.0871	0.0871
Echinococcus granulosus	Endonuclease G	0.027	0.0862	0.0862
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0805	0.2853	1
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0138	0.0373	0.0918
Onchocerca volvulus		0.0805	0.2853	0.8178
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0138	0.0373	0.4325
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0138	0.0373	0.0373
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0138	0.0373	0.0373
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0378	0.1266	0.1266
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0805	0.2853	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0122	0.0122
Brugia malayi	hypothetical protein	0.0138	0.0373	0.0373
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Brugia malayi	hypothetical protein	0.0071	0.0122	0.0122
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0147	0.0405	0.0405
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0138	0.0373	0.0373
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0449	0.1528	0.1528
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0138	0.0373	0.0751
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0378	0.1266	0.1266
Brugia malayi	hypothetical protein	0.0138	0.0373	0.0373
Trypanosoma cruzi	endonuclease G, putative	0.027	0.0862	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0122	0.0122
Echinococcus granulosus	transferase	0.0071	0.0122	0.0122
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0138	0.0373	0.0751
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0138	0.0373	0.0751
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0737	0.2599	0.2599
Echinococcus multilocularis	gpi ethanolamine phosphate transferase 1	0.0071	0.0122	0.0122
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0138	0.0373	0.0918
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.2727	1	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0358	0.0358
Echinococcus granulosus	neuropeptide receptor A26	0.042	0.1422	0.1422
Leishmania major	endonuclease G, putative	0.027	0.0862	1
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0557	0.193	1
Plasmodium falciparum	GPI ethanolamine phosphate transferase 3, putative	0.0071	0.0122	0.5
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0138	0.0373	0.0373
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0248	0.0783	0.1652
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0449	0.1528	0.1528
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0051	0.005	0.0579
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0147	0.0405	0.0405
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0138	0.0373	0.0373
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0138	0.0373	0.0751
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.0071	0.0122	0.0122
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0138	0.0373	0.0373
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0138	0.0373	0.0373
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0138	0.0373	0.0373
Trypanosoma cruzi	hypothetical protein, conserved	0.0248	0.0783	0.9076
Trypanosoma cruzi	endonuclease G, putative	0.027	0.0862	1
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0138	0.0373	0.0751
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0805	0.2853	1
Echinococcus multilocularis	transferase	0.0071	0.0122	0.0122
Echinococcus multilocularis		0.0138	0.0373	0.0373
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0138	0.0373	0.0373
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0138	0.0373	0.0373
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0137	0.037	0.037
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0138	0.0373	0.0373
Brugia malayi	endonuclease G, mitochondrial precursor	0.027	0.0862	0.0862
Loa Loa (eye worm)	hypothetical protein	0.0449	0.1528	0.1528
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0147	0.0405	0.0405
Onchocerca volvulus		0.0138	0.0373	0.0751
Schistosoma mansoni	protein tyrosine phosphatase	0.0147	0.0405	0.0405
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0147	0.0405	0.0405
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0071	0.0122	0.0122
Onchocerca volvulus		0.0449	0.1528	0.4211
Schistosoma mansoni	lipoxygenase	0.0075	0.0138	0.0138
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Echinococcus multilocularis	geminin	0.0297	0.0962	0.0962
Leishmania major	DNA/RNA non-specific endonuclease-like protein	0.027	0.0862	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0138	0.0373	0.0373
Brugia malayi	hypothetical protein	0.0071	0.0122	0.0122
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0449	0.1528	0.1528
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0138	0.0373	0.0373
Echinococcus granulosus	ectonucleotide	0.0378	0.1266	0.1266
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0138	0.0373	0.0373
Schistosoma mansoni	hypothetical protein	0.0969	0.3461	0.3461
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0138	0.0373	0.4325
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0805	0.2853	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0147	0.0405	0.0405
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0138	0.0373	0.0373
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0147	0.0405	0.0405
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0248	0.0783	0.1652
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0449	0.1528	0.1528
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Echinococcus multilocularis	ectonucleotide	0.0378	0.1266	0.1266
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0147	0.0405	0.0405
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0138	0.0373	0.0751
Onchocerca volvulus		0.0138	0.0373	0.0751
Onchocerca volvulus		0.0138	0.0373	0.0751
Brugia malayi	Protein-tyrosine phosphatase 1	0.0138	0.0373	0.0373
Echinococcus multilocularis	hypothetical protein	0.0138	0.0373	0.0373
Leishmania major	hypothetical protein, conserved	0.0248	0.0783	0.9076
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Schistosoma mansoni	lipoxygenase	0.0107	0.0258	0.0258
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0138	0.0373	0.0373
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0147	0.0405	0.0405
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0147	0.0405	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0147	0.0405	0.0405
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0805	0.2853	1
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0805	0.2853	0.2853
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0138	0.0373	0.0751
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0051	0.005	0.005
Trypanosoma brucei	GPI ethanolamine phosphate transferase 3, putative	0.0071	0.0122	0.1419
Brugia malayi	hypothetical protein	0.0138	0.0373	0.0373
Echinococcus multilocularis	Endonuclease G	0.027	0.0862	0.0862
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.2727	1	1
Schistosoma mansoni	hypothetical protein	0.0071	0.0122	0.0122
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.2727	1	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0137	0.037	0.037
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.0969	0.3461	0.3461
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0449	0.1528	0.1528
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0449	0.1528	0.1528
Onchocerca volvulus		0.0449	0.1528	0.4211
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.2727	1	1
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0449	0.1528	0.1528
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0138	0.0373	0.0373
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0147	0.0405	0.0405
Onchocerca volvulus		0.0969	0.3461	1
Echinococcus multilocularis	neuropeptide receptor A26	0.042	0.1422	0.1422
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0449	0.1528	0.1528
Onchocerca volvulus	4.1 G protein, putative homolog	0.0138	0.0373	0.0751
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.0449	0.1528	0.1528
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0107	0.0258	0.0258
Trypanosoma cruzi	hypothetical protein, conserved	0.0248	0.0783	0.9076
Schistosoma mansoni	alpha-glucosidase	0.0118	0.0299	0.0299
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0147	0.0405	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Trypanosoma brucei	protein tyrosine phosphatase 1	0.0138	0.0373	0.4325
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0071	0.0122	0.0122
Onchocerca volvulus		0.0138	0.0373	0.0751
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0122	0.0122
Leishmania major	ethanolamine phosphotransferase, putative	0.0071	0.0122	0.1419
Mycobacterium ulcerans	hypothetical protein	0.0071	0.0122	0.0258
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0138	0.0373	0.0373
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0358	0.0358
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Schistosoma mansoni	hypothetical protein	0.0297	0.0962	0.0962
Schistosoma mansoni	endonuclease related	0.027	0.0862	0.0862
Toxoplasma gondii	DNA/RNA non-specific endonuclease	0.027	0.0862	1
Onchocerca volvulus		0.0138	0.0373	0.0751
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0138	0.0373	0.0373
Giardia lamblia	Protein tyrosine phosphatase	0.0138	0.0373	0.0918
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0969	0.3461	0.3461
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Schistosoma mansoni	hypothetical protein	0.0071	0.0122	0.0122
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0805	0.2853	1
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0449	0.1528	0.1528
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0138	0.0373	0.0373
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0138	0.0373	0.0373
Trypanosoma cruzi	DNA/RNA non-specific endonuclease protein-like, putative	0.027	0.0862	1
Loa Loa (eye worm)	hypothetical protein	0.0449	0.1528	0.1528
Brugia malayi	Protein-tyrosine phosphatase	0.028	0.0903	0.0903
Echinococcus granulosus	gpi ethanolamine phosphate transferase 3	0.0071	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0805	0.2853	1
Schistosoma mansoni	protein tyrosine phosphatase	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0138	0.0373	0.0751
Echinococcus multilocularis	gpi ethanolamine phosphate transferase 3	0.0071	0.0122	0.0122
Echinococcus multilocularis	neuropeptide s receptor	0.042	0.1422	0.1422
Trypanosoma brucei	endonuclease G, putative	0.027	0.0862	1
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0138	0.0373	0.0373
Onchocerca volvulus		0.0142	0.039	0.08
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0449	0.1528	0.1528
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0138	0.0373	0.0373
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0138	0.0373	0.0373
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0107	0.0258	0.0258
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0449	0.1528	0.1528
Mycobacterium leprae	hypothetical protein	0.0071	0.0122	0.5
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0373	0.0373
Echinococcus granulosus	lysosomal alpha glucosidase	0.0137	0.037	0.037
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0138	0.0373	0.0373

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 3.6 nM	In vitro inhibition HeLa S3 cell growth by 50% after 72 hr.	ChEMBL.	10425104
IC50 (functional)	= 3.6 nM	In vitro inhibition HeLa S3 cell growth by 50% after 72 hr.	ChEMBL.	10425104
IC50 (functional)	= 16 nM	In vitro inhibition of HeLa S3 cell growth by 50% after 1 hr.	ChEMBL.	10425104
IC50 (functional)	= 16 nM	In vitro inhibition of HeLa S3 cell growth by 50% after 1 hr.	ChEMBL.	10425104
PL (functional)	NT 0 %	Hematotoxicity determined as number of peripheral platelets of normal mice on day 7 (percent of control); not tested (%PL)	ChEMBL.	10425104
T/C (functional)	= 0.18	In vivo antitumor activity expressed as T/C in mice implanted subcutaneously (sc) with sarcoma180 tumor cells,and dose 4(mg/kg) administered intravenously	ChEMBL.	10425104
WBC (functional)	= 32 %	Hematotoxicity determined as number of white blood cells of tumor-bearing mice on day 4 (percent of control).	ChEMBL.	10425104
WBC (functional)	= 32 %	Hematotoxicity determined as number of white blood cells of tumor-bearing mice on day 4 (percent of control).	ChEMBL.	10425104

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	10425104

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL319900
PubChem: 10650344

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 168434