TDR Targets

Basic information

Technical information

TDR Targets ID: 335573
Name: (1-hydroxy-2-naphthalen-1-yl-1-phosphonoethyl )phosphonic acid
MW: 332.183 | Formula: C12H14O7P2
H donors: 5 H acceptors: 7 LogP: -0.83 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OP(=O)(C(P(=O)(O)O)(Cc1cccc2c1cccc2)O)O
InChi: 1S/C12H14O7P2/c13-12(20(14,15)16,21(17,18)19)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,13H,8H2,(H2,14,15,16)(H2,17,18,19)
InChiKey: BNXBJUGVJRQKSF-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

[1-hydroxy-2-(1-naphthyl)-1-phosphono-ethyl]phosphonic acid
[1-hydroxy-2-(1-naphthalenyl)-1-phosphonoethyl]phosphonic acid
(1-hydroxy-2-naphthalen-1-yl-1-phosphono-ethyl)phosphonic acid
[1-hydroxy-2-(1-naphthyl)-1-phosphonoethyl]phosphonic acid
AIDS257709
Phosphonic acid, [1-hydroxy-2-(1-naphthalenyl)ethylidene]bis-
AIDS-257709

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Trypanosoma brucei gambiense	vacuolar-type proton translocating pyrophosphatase 1, putative		References
Trypanosoma brucei	Pyrophosphate-energized vacuolar membrane proton pump 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium falciparum	V-type H(+)-translocating pyrophosphatase, putative	Get druggable targets OG5_128905	All targets in OG5_128905
Leishmania infantum	vacuolar-type proton translocating pyrophosphatase 1, putative	Get druggable targets OG5_128905	All targets in OG5_128905
Trypanosoma brucei	Pyrophosphate-energized vacuolar membrane proton pump 1	Get druggable targets OG5_128905	All targets in OG5_128905
Toxoplasma gondii	V-type H(+)-translocating pyrophosphatase VP1	Get druggable targets OG5_128905	All targets in OG5_128905
Leishmania braziliensis	vacuolar-type proton translocating pyrophosphatase 1, putative	Get druggable targets OG5_128905	All targets in OG5_128905
Plasmodium yoelii	vacuolar-type H+ pumping pyrophosphatase-related	Get druggable targets OG5_128905	All targets in OG5_128905
Plasmodium yoelii	V-type H(+)-translocating pyrophosphatase	Get druggable targets OG5_128905	All targets in OG5_128905
Plasmodium vivax	V-type H(+)-translocating pyrophosphatase, putative	Get druggable targets OG5_128905	All targets in OG5_128905
Trypanosoma congolense	vacuolar-type proton translocating pyrophosphatase 1	Get druggable targets OG5_128905	All targets in OG5_128905
Plasmodium berghei	inorganic pyrophosphatase, putative	Get druggable targets OG5_128905	All targets in OG5_128905
Neospora caninum	hypothetical protein	Get druggable targets OG5_128905	All targets in OG5_128905
Plasmodium falciparum	V-type K+-independent H+-translocating inorganic pyrophosphatase	Get druggable targets OG5_128905	All targets in OG5_128905
Leishmania major	vacuolar-type proton translocating pyrophosphatase 1, putative	Get druggable targets OG5_128905	All targets in OG5_128905
Plasmodium vivax	vacuolar-type H+ pumping pyrophosphatase, putative	Get druggable targets OG5_128905	All targets in OG5_128905
Leishmania donovani	Pyrophosphate-energized vacuolar membrane proton pump 1, putative	Get druggable targets OG5_128905	All targets in OG5_128905
Trypanosoma cruzi	vacuolar-type proton translocating pyrophosphatase 1	Get druggable targets OG5_128905	All targets in OG5_128905
Plasmodium knowlesi	vacuolar-type H+-translocating inorganic pyrophosphatase, putative	Get druggable targets OG5_128905	All targets in OG5_128905
Trypanosoma brucei gambiense	vacuolar-type proton translocating pyrophosphatase 1	Get druggable targets OG5_128905	All targets in OG5_128905
Trypanosoma brucei gambiense	vacuolar-type proton translocating pyrophosphatase 1, putative	Get druggable targets OG5_128905	All targets in OG5_128905
Plasmodium berghei	V-type H(+)-translocating pyrophosphatase, putative	Get druggable targets OG5_128905	All targets in OG5_128905
Trypanosoma cruzi	Vacuolar proton pyrophosphatase 1, putative	Get druggable targets OG5_128905	All targets in OG5_128905
Leishmania mexicana	vacuolar-type proton translocating pyrophosphatase 1, putative	Get druggable targets OG5_128905	All targets in OG5_128905
Trypanosoma brucei	Pyrophosphate-energized vacuolar membrane proton pump 2, putative	Get druggable targets OG5_128905	All targets in OG5_128905
Plasmodium knowlesi	V-type H(+)-translocating pyrophosphatase, putative	Get druggable targets OG5_128905	All targets in OG5_128905

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 granulosus	defective proboscis extension response	0.0027	0.0216	0.0216
Echinococcus granulosus	RUN	0.0019	0.0107	0.0107
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0139	0.0172
Plasmodium falciparum	V-type K+-independent H+-translocating inorganic pyrophosphatase	0.0405	0.5892	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0361	0.0555
Echinococcus granulosus	twitchin	0.0033	0.0318	0.0318
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.002	0.0108	0.0108
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0139	0.0172
Echinococcus multilocularis	tyrosine protein kinase otk	0.0016	0.0048	0.0048
Loa Loa (eye worm)	hypothetical protein	0.005	0.0561	0.1195
Schistosoma mansoni	phosphatidylserine receptor	0.0018	0.0079	0.0031
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0078	0.0982	0.0982
Trypanosoma brucei	Pyrophosphate-energized vacuolar membrane proton pump 1	0.0405	0.5892	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0302	0.4339	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.002	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0216	0.039
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.122	0.122
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0052	0.0052
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0139	0.0139
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.0674	0.0674
Schistosoma mansoni	rab6-interacting	0.0019	0.0107	0.0059
Brugia malayi	hypothetical protein	0.0027	0.0216	0.039
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0068	0.083	0.0785
Schistosoma mansoni	glutamate receptor kainate	0.002	0.0108	0.006
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0139	0.0172
Plasmodium vivax	vacuolar-type H+ pumping pyrophosphatase, putative	0.0405	0.5892	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0724	0.3277
Trypanosoma cruzi	DNA polymerase eta, putative	0.0022	0.0139	0.0104
Echinococcus granulosus	phd:f box containing protein	0.0018	0.0079	0.0079
Giardia lamblia	Fructose-bisphosphate aldolase	0.0288	0.4129	1
Loa Loa (eye worm)	TK protein kinase	0.0085	0.1085	0.2415
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.002	0.0108	0.0108
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.122	0.122
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0361	0.0555
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.0079	0.0071
Brugia malayi	Glutamate receptor 1 precursor	0.002	0.0108	0.014
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4129	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0361	0.0485
Echinococcus multilocularis	hemicentin 1	0.0016	0.0048	0.0048
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.122	0.122
Echinococcus multilocularis	jumonji domain containing 1A	0.0018	0.0079	0.0079
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0057	0.0674	0.0628
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0018	0.0079	0.0068
Echinococcus granulosus	jumonji domain containing 1A	0.0018	0.0079	0.0079
Echinococcus granulosus	roundabout 2	0.0042	0.0448	0.0448
Brugia malayi	jmjC domain containing protein	0.0068	0.083	0.1821
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.122	0.1177
Echinococcus granulosus	neuropeptide s receptor	0.0455	0.664	0.664
Echinococcus granulosus	glutamate NMDA receptor subunit	0.002	0.0108	0.0108
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0052	0.0008
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0057	0.0674	0.1457
Schistosoma mansoni	hypothetical protein	0.0019	0.0107	0.0059
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.0297	0.0581
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0079	0.0071
Schistosoma mansoni	lipoxygenase	0.0116	0.1556	0.1515
Echinococcus multilocularis	roundabout 2	0.0042	0.0448	0.0448
Schistosoma mansoni	hypothetical protein	0.0016	0.0052	0.0003
Schistosoma mansoni	ATP-binding cassette transporter	0.002	0.0108	0.006
Onchocerca volvulus	Tyrosine kinase homolog	0.0273	0.3911	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0216	0.039
Loa Loa (eye worm)	inositol-1	0.0036	0.0361	0.0728
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0057	0.0674	0.2995
Echinococcus multilocularis	phd:f box containing protein	0.0018	0.0079	0.0079
Schistosoma mansoni	glutamate receptor kainate	0.002	0.0108	0.006
Leishmania major	DNA polymerase eta, putative	0.0022	0.0139	0.0104
Echinococcus multilocularis	Immunoglobulin	0.0027	0.0216	0.0216
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.0724	0.0724
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0139	0.0139
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0016	0.0048	0.0048
Brugia malayi	jmjC domain containing protein	0.0018	0.0079	0.0071
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0068	0.0838	0.0793
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0139	0.0172
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0361	0.0555
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0561	0.1195
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0448	0.0932
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0016	0.0048	0.0048
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.0079	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0216	0.039
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0139	0.0172
Brugia malayi	hypothetical protein	0.0019	0.0107	0.0136
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0027	0.0216	0.039
Treponema pallidum	fructose-bisphosphate aldolase	0.0288	0.4129	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0139	0.0104
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0724	0.3277
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0027	0.0216	0.0168
Plasmodium vivax	V-type H(+)-translocating pyrophosphatase, putative	0.0405	0.5892	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4129	1
Leishmania major	vacuolar-type proton translocating pyrophosphatase 1, putative	0.0405	0.5892	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0139	0.0172
Schistosoma mansoni	DNA polymerase eta	0.0022	0.0139	0.0092
Onchocerca volvulus		0.0032	0.0297	0.0645
Onchocerca volvulus		0.0019	0.0107	0.0151
Echinococcus granulosus	neuropeptide receptor A26	0.0455	0.664	0.664
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.0724	0.0724
Schistosoma mansoni	glutamate receptor AMPA	0.002	0.0108	0.006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.122	0.1177
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0139	0.0104
Trypanosoma brucei	unspecified product	0.0022	0.0139	0.0172
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0016	0.0048	0.0048
Trypanosoma brucei	DNA polymerase eta, putative	0.0022	0.0139	0.0172
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0139	0.0092
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0561	0.1195
Leishmania major	DNA polymerase kappa, putative	0.0022	0.0139	0.0104
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0139	0.0172
Echinococcus multilocularis	lysine specific demethylase 5A	0.0066	0.0802	0.0802
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0139	0.0172
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0325	0.0646
Echinococcus multilocularis	neuropeptide s receptor	0.0455	0.664	0.664
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4129	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0346	0.0694
Onchocerca volvulus		0.0264	0.3772	0.9641
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0107	0.0136
Echinococcus granulosus	glutamate receptor 2	0.002	0.0108	0.0108
Brugia malayi	hypothetical protein	0.0036	0.0354	0.0712
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.0724	0.3277
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0016	0.0048	0.0048
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0035	0.0346	0.0346
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0052	0.0052
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.0674	0.0674
Loa Loa (eye worm)	jmjC domain-containing protein	0.0068	0.083	0.1821
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.0724	0.111
Schistosoma mansoni	jumonji domain containing protein	0.0018	0.0079	0.0031
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4129	1
Echinococcus granulosus	roundabout 2	0.0016	0.0048	0.0048
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0361	0.0361
Schistosoma mansoni	hypothetical protein	0.0034	0.0325	0.0278
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0361	0.0485
Echinococcus multilocularis	lysine specific demethylase 6a	0.0018	0.0079	0.0079
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0052	0.0052
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0139	0.0172
Schistosoma mansoni	cpg binding protein	0.0034	0.0325	0.0278
Echinococcus granulosus	lysine specific demethylase 5A	0.0068	0.083	0.083
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0052	0.0052
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0724	0.0679
Schistosoma mansoni	tyrosine kinase	0.0018	0.0085	0.0037
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0107	0.0107
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0139	0.0172
Echinococcus granulosus	JmjC domain containing protein 4	0.0018	0.0079	0.0079
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4129	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0139	0.0212
Entamoeba histolytica	hypothetical protein	0.0036	0.0354	0.0537
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0022	0.0139	0.0104
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4129	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0139	0.0172
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0354	0.0354
Echinococcus multilocularis	cpg binding protein	0.0034	0.0325	0.0325
Schistosoma mansoni	hypothetical protein	0.0016	0.0052	0.0003
Echinococcus multilocularis	neuroglian	0.0033	0.0318	0.0318
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0107	0.0107
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0052	0.0008
Brugia malayi	Inositol-1	0.0036	0.0361	0.0728
Schistosoma mansoni	glutamate receptor NMDA	0.002	0.0108	0.006
Schistosoma mansoni	microtubule-associated protein tau	0.0679	1	1
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0018	0.0079	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0107	0.0136
Echinococcus multilocularis	geminin	0.0325	0.4689	0.4689
Brugia malayi	Doublecortin family protein	0.0019	0.0107	0.0136
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0354	0.0354
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0361	0.0485
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4129	1
Schistosoma mansoni	cpg binding protein	0.0034	0.0325	0.0278
Schistosoma mansoni	hypothetical protein	0.0016	0.0052	0.0003
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0139	0.0139
Echinococcus granulosus	geminin	0.0325	0.4689	0.4689
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.002	0.0108	0.0108
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0107	0.0107
Echinococcus granulosus	contactin	0.0016	0.0048	0.0048
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0066	0.0802	0.0802
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.122	0.1177
Brugia malayi	CXXC zinc finger family protein	0.0032	0.0297	0.0581
Schistosoma mansoni	glutamate receptor NMDA	0.002	0.0108	0.006
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0139	0.0212
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0019	0.0106	0.0106
Schistosoma mansoni	hypothetical protein	0.0325	0.4689	0.4663
Echinococcus granulosus	peroxidasin	0.0016	0.0048	0.0048
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0061	0.0728	0.1118
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.002	0.0108	0.0108
Echinococcus multilocularis	microtubule associated protein 2	0.0679	1	1
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0078	0.0982	0.0982
Schistosoma mansoni	glutamate receptor AMPA	0.002	0.0108	0.006
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0053	0.0616	0.1323
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0354	0.0307
Echinococcus multilocularis	roundabout 2	0.0016	0.0048	0.0048
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0302	0.4339	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0361	0.0485
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.0304	0.0921
Plasmodium falciparum	V-type H(+)-translocating pyrophosphatase, putative	0.0405	0.5892	1
Echinococcus multilocularis	glutamate receptor 2	0.002	0.0108	0.0108
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.014	0.1923	1
Schistosoma mansoni	jumonji domain containing protein	0.0066	0.0802	0.0758
Echinococcus granulosus	GPCR family 2	0.0016	0.0052	0.0052
Echinococcus granulosus	roundabout 2	0.0016	0.0048	0.0048
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0107	0.0048
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.4129	1
Brugia malayi	hypothetical protein	0.0019	0.0107	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0216	0.039
Brugia malayi	jmjC domain containing protein	0.0018	0.0079	0.0071
Echinococcus multilocularis	JmjC domain containing protein 4	0.0018	0.0079	0.0079
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.002	0.0108	0.0108
Echinococcus multilocularis	neurotracting:lsamp:neurotrimin:obcam	0.0016	0.0048	0.0048
Trypanosoma brucei	Pyrophosphate-energized vacuolar membrane proton pump 2, putative	0.0405	0.5892	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0561	0.1195
Echinococcus multilocularis	Immunoglobulin	0.0027	0.0216	0.0216
Echinococcus granulosus	Immunoglobulin	0.0027	0.0216	0.0216
Schistosoma mansoni	glutamate receptor kainate	0.002	0.0108	0.006
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0139	0.0172
Echinococcus granulosus	tyrosine protein kinase otk	0.0016	0.0048	0.0048
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0052	0.0008
Echinococcus multilocularis	peroxidasin	0.0016	0.0048	0.0048
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0139	0.0104
Schistosoma mansoni	cpg binding protein	0.0032	0.0297	0.025
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0724	0.3277
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0448	0.0932
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0066	0.0802	0.0802
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0094	0.122	0.273
Onchocerca volvulus		0.0019	0.0107	0.0151
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0107	0.0136
Schistosoma mansoni	rab6-interacting	0.0019	0.0107	0.0059
Brugia malayi	jmjC domain containing protein	0.0018	0.0079	0.0071
Echinococcus multilocularis	roundabout 2	0.0016	0.0048	0.0048
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.122	0.122
Trypanosoma cruzi	vacuolar-type proton translocating pyrophosphatase 1	0.0405	0.5892	1
Schistosoma mansoni	cell adhesion molecule	0.0035	0.0346	0.0299
Echinococcus multilocularis	lachesin	0.0016	0.0048	0.0048
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.0724	0.111
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0085	0.1085	0.2415
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0139	0.0172
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0078	0.0982	0.0982
Entamoeba histolytica	hypothetical protein	0.0036	0.0354	0.0537
Entamoeba histolytica	hypothetical protein	0.0036	0.0354	0.0537
Loa Loa (eye worm)	glutamate receptor 1	0.002	0.0108	0.014
Echinococcus granulosus	neuroglian	0.0033	0.0318	0.0318
Echinococcus multilocularis	glutamate receptor 2	0.002	0.0108	0.0108
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0361	0.0314
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0361	0.0555
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0079	0.0071
Echinococcus multilocularis	hemicentin 1	0.0016	0.0048	0.0048
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0057	0.0674	0.1023
Brugia malayi	jmjC domain containing protein	0.0018	0.0079	0.0071
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0139	0.0104
Schistosoma mansoni	protein phosphatase 2C	0.0018	0.0079	0.0031
Echinococcus granulosus	lysine specific demethylase 6a	0.0018	0.0079	0.0079
Echinococcus multilocularis	dna polymerase eta	0.0022	0.0139	0.0139
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0139	0.0139
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.4129	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.4129	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0139	0.0092
Schistosoma mansoni	hypothetical protein	0.0036	0.0354	0.0307
Schistosoma mansoni	polycystin 1-related	0.0019	0.0107	0.0059
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0027	0.0216	0.0216
Echinococcus granulosus	lachesin	0.0016	0.0048	0.0048
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0057	0.0674	0.2995
Schistosoma mansoni	phd/f-box containing protein	0.0018	0.0079	0.0031
Schistosoma mansoni	lipoxygenase	0.0081	0.1033	0.0989
Brugia malayi	Glutamate receptor 2 precursor	0.002	0.0108	0.014
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0116	0.1556	0.1556
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0052	0.0052
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0139	0.0212
Echinococcus granulosus	hemicentin 1	0.0016	0.0048	0.0048
Trypanosoma cruzi	Vacuolar proton pyrophosphatase 1, putative	0.0405	0.5892	1
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0078	0.0982	0.0982
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0361	0.1241
Schistosoma mansoni	loxhd1	0.0019	0.0107	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0008
Brugia malayi	Fibronectin type III domain containing protein	0.0027	0.0216	0.039
Brugia malayi	jmjC domain containing protein	0.0066	0.0802	0.1757
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0027	0.0216	0.0168
Toxoplasma gondii	V-type H(+)-translocating pyrophosphatase VP1	0.0405	0.5892	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0116	0.1556	0.1556
Loa Loa (eye worm)	glutamate receptor 2	0.002	0.0108	0.014
Schistosoma mansoni	hypothetical protein	0.0325	0.4689	0.4663
Echinococcus multilocularis	neuropeptide receptor A26	0.0455	0.664	0.664
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.002	0.0108	0.0108
Echinococcus granulosus	neuroglian	0.0016	0.0048	0.0048
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.002	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0079	0.0071
Schistosoma mansoni	tyrosine kinase	0.0078	0.0982	0.0939
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0216	0.039
Echinococcus granulosus	cpg binding protein	0.0034	0.0325	0.0325
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0107	0.0107
Echinococcus granulosus	dna polymerase eta	0.0022	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0216	0.039
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0361	0.0361
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0325	0.0646
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0107	0.0107
Schistosoma mansoni	nephrin	0.0033	0.0318	0.0271
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.002	0.0108	0.0108
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0068	0.083	0.0785
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0057	0.0674	0.2995
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0724	0.0679
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0107	0.0107
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0361	0.0314
Schistosoma mansoni	hypothetical protein	0.0016	0.0052	0.0003
Echinococcus multilocularis	neuroglian	0.0016	0.0048	0.0048
Echinococcus multilocularis	RUN	0.0019	0.0107	0.0107
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0094	0.122	0.273
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0361	0.5
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0361	0.055
Entamoeba histolytica	hypothetical protein	0.0036	0.0354	0.0537
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0016	0.0048	0.0048
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0019	0.0106	0.0106
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.014	0.1923	1
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0107	0.0048
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0139	0.0212
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.014	0.1923	1
Schistosoma mansoni	vesicular amine transporter	0.0027	0.0216	0.0168
Loa Loa (eye worm)	jmjC domain-containing protein	0.0018	0.0079	0.0071

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 847 uM	Dose of the compound to inhibit the growth of human KB carcinoma cell line	ChEMBL.	16162013
ED50 (functional)	= 847 uM	Dose of the compound to inhibit the growth of human KB carcinoma cell line	ChEMBL.	16162013
IC50 (binding)	= 11.3 uM	Inhibition of recombinant trypanosoma brucei soluble vacuolar pyrophosphatase expressed in escherichia coli	ChEMBL.	16162013
IC50 (binding)	= 11.3 uM	Inhibition of recombinant trypanosoma brucei soluble vacuolar pyrophosphatase expressed in escherichia coli	ChEMBL.	16162013
IC50 (functional)	= 68.75 uM	In vitro inhibitory concentration against the growth of Toxoplasma gondii in human foreskin fibroblast monolayer cells (HFF cells)	ChEMBL.	15857119
IC50 (functional)	= 68.75 uM	In vitro inhibitory concentration against the growth of Toxoplasma gondii in human foreskin fibroblast monolayer cells (HFF cells)	ChEMBL.	15857119
IC50 (ADMET)	= 225 uM	Toxicity against human SF268 cells assessed as growth inhibition by broth microdilution method	ChEMBL.	18789701
IC50 (ADMET)	= 248 uM	Toxicity against human NCI-H460 cells assessed as growth inhibition by broth microdilution method	ChEMBL.	18789701
IC50 (ADMET)	= 259 uM	Toxicity against human MCF7 cells assessed as growth inhibition by broth microdilution method	ChEMBL.	18789701
TI (functional)	= 75	Ratio of ED50 against KB cell line to that of IC50 of TbVSP1	ChEMBL.	16162013
TI (functional)	= 75	Ratio of ED50 against KB cell line to that of IC50 of TbVSP1	ChEMBL.	16162013

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.

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: CHEMBL192881
PubChem: 5277484

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 335573