TDR Targets

Basic information

Technical information

TDR Targets ID: 80557
Name: [(2,3-dihydro-1H-inden-5-ylamino)-phosphonome thyl]phosphonic acid
MW: 307.177 | Formula: C10H15NO6P2
H donors: 5 H acceptors: 6 LogP: -0.65 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OP(=O)(C(P(=O)(O)O)Nc1ccc2c(c1)CCC2)O
InChi: 1S/C10H15NO6P2/c12-18(13,14)10(19(15,16)17)11-9-5-4-7-2-1-3-8(7)6-9/h4-6,10-11H,1-3H2,(H2,12,13,14)(H2,15,16,17)
InChiKey: AFAYEBZLLBUMBG-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

[(indan-5-ylamino)-phosphono-methyl]phosphonic acid
[(5-indanylamino)-phosphonomethyl]phosphonic acid
[(2,3-dihydro-1H-inden-5-ylamino)-phosphono-methyl]phosphonic acid
AIDS-257685
NSC725578
[(5-indanyl)aminomethylene]-1,1-bisphosphonate
Phosphonic acid, [[(2,3-dihydro-1H-inden-5-yl)amino]methylene]bis-
AIDS257685

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 yoelii	vacuolar-type H+ pumping pyrophosphatase-related	Get druggable targets OG5_128905	All targets in OG5_128905
Plasmodium falciparum	V-type H(+)-translocating 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
Plasmodium knowlesi	vacuolar-type H+-translocating inorganic 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	V-type H(+)-translocating pyrophosphatase, putative	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
Plasmodium vivax	vacuolar-type H+ pumping pyrophosphatase, putative	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
Trypanosoma brucei gambiense	vacuolar-type proton translocating pyrophosphatase 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
Trypanosoma brucei	Pyrophosphate-energized vacuolar membrane proton pump 2, putative	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
Trypanosoma brucei	Pyrophosphate-energized vacuolar membrane proton pump 1	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
Neospora caninum	hypothetical protein	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
Leishmania braziliensis	vacuolar-type proton translocating pyrophosphatase 1, 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
Plasmodium vivax	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
Plasmodium yoelii	V-type H(+)-translocating pyrophosphatase	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 cruzi	vacuolar-type proton translocating pyrophosphatase 1	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
Loa Loa (eye worm)	hypothetical protein	0.0035	0.038	0.038
Onchocerca volvulus		0.009	0.1325	0.3299
Loa Loa (eye worm)	ShTK domain-containing protein	0.009	0.1325	0.1325
Entamoeba histolytica	hypothetical protein	0.0112	0.1707	1
Onchocerca volvulus		0.0028	0.0247	0.0566
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0035	0.038	0.038
Echinococcus granulosus	acetylcholinesterase	0.0065	0.0905	0.425
Schistosoma mansoni	hypothetical protein	0.0122	0.1878	0.7522
Brugia malayi	ecdysone receptor	0.0017	0.0058	0.0033
Brugia malayi	nuclear receptor NHR-67	0.0017	0.0058	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0035	0.038	0.038
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.0483	0.0285
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.014	0.2197	0.8816
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0035	0.038	0.1786
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0035	0.038	0.1528
Brugia malayi	Nuclear hormone receptor E75	0.0017	0.0058	0.0033
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0035	0.038	0.1445
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0298	0.1401
Echinococcus granulosus	serine protein kinase ATM	0.0024	0.0189	0.089
Brugia malayi	Steroid receptor seven-up type 2	0.0035	0.038	0.0357
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0035	0.038	0.0357
Echinococcus granulosus	ecdysone induced protein 78C	0.0035	0.038	0.1786
Schistosoma mansoni	retinoic acid receptor RXR	0.0035	0.038	0.1445
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0018	0.0075	0.0302
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0075	0.0075
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0212	0.0188
Loa Loa (eye worm)	hypothetical protein	0.009	0.1325	0.1325
Echinococcus multilocularis	lamin	0.0028	0.0247	0.0993
Schistosoma mansoni	nuclear hormone receptor	0.0017	0.0058	0.0136
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0018	0.0075	0.0302
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0075	0.0051
Brugia malayi	nuclear hormone receptor	0.0035	0.038	0.0357
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0017	0.0058	0.027
Echinococcus multilocularis	ecdysone induced protein 78C	0.0035	0.038	0.1528
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0019	0.0092	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0058	0.0058
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0017	0.0058	0.0136
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0017	0.0058	0.027
Schistosoma mansoni	nuclear hormone receptor	0.0035	0.038	0.1445
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0035	0.038	0.1528
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.0483	0.1049
Brugia malayi	ecdysteroid receptor	0.0035	0.038	0.0357
Loa Loa (eye worm)	hypothetical protein	0.009	0.1325	0.1325
Brugia malayi	Common central domain of tyrosinase family protein	0.009	0.1325	0.1304
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0086	0.1257	0.5905
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0122	0.1878	0.8821
Onchocerca volvulus	Bile acid receptor homolog	0.0035	0.038	0.0903
Loa Loa (eye worm)	acetylcholinesterase 1	0.0065	0.0905	0.0905
Loa Loa (eye worm)	hypothetical protein	0.0035	0.038	0.038
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0035	0.038	0.1445
Leishmania major	vacuolar-type proton translocating pyrophosphatase 1, putative	0.0405	0.6792	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0024	0.0189	0.0671
Schistosoma mansoni	tyrosinase precursor	0.009	0.1325	0.528
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0058	0.0058
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0298	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0905	0.0905
Brugia malayi	nuclear receptor RXR	0.0019	0.0092	0.0068
Loa Loa (eye worm)	tyrosinase 1	0.009	0.1325	0.1325
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0238	0.0238
Echinococcus multilocularis	serine protein kinase ATM	0.0024	0.0189	0.0761
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0017	0.0058	0.0231
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0298	0.1198
Plasmodium vivax	vacuolar-type H+ pumping pyrophosphatase, putative	0.0405	0.6792	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0298	0.1112
Echinococcus multilocularis	acetylcholinesterase	0.0065	0.0905	0.3636
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0035	0.038	0.0357
Echinococcus granulosus	netrin receptor unc 5	0.0015	0.0024	0.0113
Schistosoma mansoni	tyrosinase precursor	0.009	0.1325	0.528
Brugia malayi	intermediate filament protein	0.0028	0.0247	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0058	0.0058
Brugia malayi	acetyltransferase, GNAT family protein	0.014	0.2197	0.2178
Schistosoma mansoni	coup transcription factor	0.0035	0.038	0.1445
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0035	0.038	0.0357
Plasmodium falciparum	V-type H(+)-translocating pyrophosphatase, putative	0.0405	0.6792	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.038	0.038
Echinococcus multilocularis	FTZ F1 alpha	0.0035	0.038	0.1528
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0017	0.0058	0.0231
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0018	0.0075	0.0354
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0035	0.038	0.1445
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0092	0.0092
Brugia malayi	hypothetical protein	0.0019	0.0092	0.0068
Brugia malayi	hypothetical protein	0.0019	0.0092	0.0068
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0075	0.0075
Brugia malayi	Nuclear hormone receptor-like 1	0.0035	0.038	0.0357
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0122	0.1878	0.7546
Onchocerca volvulus		0.0242	0.3967	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0092	0.0092
Schistosoma mansoni	jun-related protein	0.007	0.0978	0.3872
Loa Loa (eye worm)	hypothetical protein	0.0035	0.038	0.038
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0058	0.0058
Trypanosoma brucei	Pyrophosphate-energized vacuolar membrane proton pump 1	0.0405	0.6792	1
Brugia malayi	Pre-SET motif family protein	0.0213	0.3456	0.344
Brugia malayi	photoreceptor-specific nuclear receptor	0.0035	0.038	0.0357
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0035	0.038	0.1528
Loa Loa (eye worm)	hypothetical protein	0.0083	0.1216	0.1216
Schistosoma mansoni	lamin	0.0028	0.0247	0.0905
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0035	0.038	0.0357
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0019	0.0092	0.0433
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0035	0.038	0.038
Onchocerca volvulus		0.0035	0.038	0.0903
Toxoplasma gondii	V-type H(+)-translocating pyrophosphatase VP1	0.0405	0.6792	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0035	0.038	0.038
Schistosoma mansoni	nuclear receptor	0.0017	0.0058	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0298	0.0298
Echinococcus granulosus	lamin dm0	0.0028	0.0247	0.1161
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0058	0.0058
Echinococcus multilocularis	netrin receptor unc 5	0.0015	0.0024	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0092	0.0092
Brugia malayi	orphan nuclear receptor NR2E1	0.0017	0.0058	0.0033
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0035	0.038	0.1445
Entamoeba histolytica	hypothetical protein	0.0112	0.1707	1
Brugia malayi	Pre-SET motif family protein	0.0031	0.0298	0.0275
Echinococcus multilocularis	musashi	0.0028	0.0247	0.0993
Brugia malayi	nuclear receptor NHR-88	0.0035	0.038	0.0357
Brugia malayi	Nuclear hormone receptor-like 1	0.0019	0.0092	0.0068
Echinococcus multilocularis	lamin dm0	0.0028	0.0247	0.0993
Plasmodium vivax	V-type H(+)-translocating pyrophosphatase, putative	0.0405	0.6792	1
Brugia malayi	ShTK domain containing protein	0.009	0.1325	0.1304
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0058	0.0058
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0017	0.0058	0.0085
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0424	0.2136
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0298	0.1112
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0035	0.038	0.1528
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0024	0.0189	0.0166
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0035	0.038	0.0357
Entamoeba histolytica	hypothetical protein	0.0024	0.0189	0.07
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0019	0.0092	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0905	0.0905
Schistosoma mansoni	thyroid hormone receptor	0.0157	0.2488	1
Trypanosoma brucei	Pyrophosphate-energized vacuolar membrane proton pump 2, putative	0.0405	0.6792	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0018	0.0075	0.0207
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0018	0.0075	0.0207
Brugia malayi	conserved hypotetical protein	0.0017	0.0058	0.0033
Schistosoma mansoni	nuclear hormone receptor	0.0017	0.0058	0.0136
Onchocerca volvulus		0.0031	0.0298	0.0695
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0075	0.1074	0.4315
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0035	0.038	0.038
Echinococcus granulosus	Ankyrin	0.0015	0.0026	0.0124
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0035	0.038	0.1786
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0035	0.038	0.1786
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0035	0.038	0.1786
Trypanosoma cruzi	Vacuolar proton pyrophosphatase 1, putative	0.0405	0.6792	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0017	0.0058	0.0136
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0112	0.1707	0.6859
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0018	0.0076	0.0001
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0035	0.038	0.1786
Brugia malayi	hypothetical protein	0.0067	0.0937	0.0916
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.0483	0.0607
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0247	0.0224
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0015	0.0024	0.0024
Brugia malayi	hypothetical protein	0.0017	0.0058	0.0033
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0247	0.0905
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0086	0.1257	0.5051
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0058	0.0058
Brugia malayi	Nuclear hormone receptor E75	0.0017	0.0058	0.0033
Schistosoma mansoni	thyroid hormone receptor	0.0157	0.2488	1
Schistosoma mansoni	transcription factor LCR-F1	0.0112	0.1707	0.6828
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0035	0.038	0.1445
Loa Loa (eye worm)	hypothetical protein	0.0035	0.038	0.038
Schistosoma mansoni	ankyrin 23/unc44	0.0015	0.0024	0.00000014979
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.009	0.1325	0.1304
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0019	0.0092	0.0092
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0035	0.038	0.1528
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.009	0.1325	0.1304
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0017	0.0058	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0092	0.0092
Brugia malayi	nuclear receptor RXR	0.0017	0.0058	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0035	0.038	0.038
Trypanosoma cruzi	vacuolar-type proton translocating pyrophosphatase 1	0.0405	0.6792	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0298	0.1198
Brugia malayi	Uncoordinated protein 44	0.0015	0.0024	0.000000037
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0058	0.0058
Brugia malayi	nuclear receptor NHR-88	0.0017	0.0058	0.0033
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0017	0.0058	0.027
Loa Loa (eye worm)	nuclear hormone receptor	0.0017	0.0058	0.0058
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0018	0.0075	0.0354
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.009	0.1325	0.1304
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0017	0.0058	0.027
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0035	0.038	0.0357
Loa Loa (eye worm)	steroid hormone receptor	0.0035	0.038	0.038
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0213	0.3456	0.3456
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0015	0.0024	0.0113
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0035	0.038	0.038
Echinococcus multilocularis	acetylcholinesterase	0.0065	0.0905	0.3636
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.0483	0.1049
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0035	0.038	0.0357
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0017	0.0058	0.0058
Entamoeba histolytica	hypothetical protein	0.0112	0.1707	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0075	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0035	0.038	0.038
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0035	0.038	0.1445
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0247	0.0247
Onchocerca volvulus		0.0067	0.0937	0.2316
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0035	0.038	0.0903
Echinococcus granulosus	nuclear receptor nhr 48	0.0017	0.0058	0.027
Echinococcus granulosus	thyroid hormone receptor alpha	0.0017	0.0058	0.027
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0212	0.0212
Brugia malayi	bZIP transcription factor family protein	0.0086	0.1257	0.1236
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0017	0.0058	0.0231
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0279	0.131
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0035	0.038	0.1786
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0024	0.0024
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0017	0.0058	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0058	0.0058
Onchocerca volvulus		0.009	0.1325	0.3299
Plasmodium falciparum	V-type K+-independent H+-translocating inorganic pyrophosphatase	0.0405	0.6792	1
Toxoplasma gondii	FATC domain-containing protein	0.0024	0.0189	0.017
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0035	0.038	0.038
Echinococcus granulosus	carboxylesterase 5A	0.0065	0.0905	0.425
Echinococcus granulosus	lamin	0.0028	0.0247	0.1161
Entamoeba histolytica	hypothetical protein	0.0112	0.1707	1
Loa Loa (eye worm)	carboxylesterase	0.0065	0.0905	0.0905
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0136	0.2129	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0024	0.0189	0.017
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0065	0.0905	0.3573
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0017	0.0058	0.0058
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0424	1
Brugia malayi	steroid hormone receptor	0.0035	0.038	0.0357
Brugia malayi	tailless protein	0.0017	0.0058	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0131	0.0131
Schistosoma mansoni	hypothetical protein	0.007	0.0978	0.3872
Brugia malayi	hypothetical protein	0.0017	0.0058	0.0033
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0298	0.1112
Echinococcus granulosus	intermediate filament protein	0.0028	0.0247	0.1161
Onchocerca volvulus	Protein ultraspiracle homolog	0.0035	0.038	0.0903
Loa Loa (eye worm)	acetyltransferase	0.014	0.2197	0.2197
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0018	0.0076	0.0001
Echinococcus multilocularis	jun protein	0.0086	0.1257	0.5051
Schistosoma mansoni	lamin	0.0028	0.0247	0.0905
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0017	0.0058	0.0231
Brugia malayi	Death domain containing protein	0.0015	0.0024	0.000000037
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0112	0.1707	0.8018
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0035	0.038	0.0357
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0019	0.0092	0.037
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0189	0.0294
Schistosoma mansoni	RAR-like nuclear receptor	0.0035	0.038	0.1445
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.009	0.1325	0.1304
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0035	0.038	0.1786
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0298	0.1112
Onchocerca volvulus		0.0017	0.0058	0.0085
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0024	0.0189	0.017
Echinococcus multilocularis	Ankyrin	0.0015	0.0026	0.0106
Echinococcus granulosus	death domain containing protein	0.0015	0.0024	0.0113
Onchocerca volvulus		0.009	0.1325	0.3299
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.014	0.2197	0.8828
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0015	0.0024	0.0097
Schistosoma mansoni	zinc finger protein	0.0017	0.0058	0.0136
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0035	0.038	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0092	0.0092
Brugia malayi	Nuclear hormone receptor-like 1	0.0019	0.0092	0.0068
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0035	0.038	0.0357
Loa Loa (eye worm)	hypothetical protein	0.059	1	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0058	0.0058
Echinococcus multilocularis	nuclear receptor nhr 48	0.0017	0.0058	0.0231
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0035	0.038	0.1528
Brugia malayi	nuclear hormone receptor	0.0017	0.0058	0.0033
Echinococcus granulosus	jun protein	0.0086	0.1257	0.5905
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0035	0.038	0.0357
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0017	0.0058	0.0085
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0075	0.1074	0.5045
Brugia malayi	hypothetical protein	0.0112	0.1707	0.1687
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0015	0.0026	0.0009
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.0483	0.0607
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0247	0.0247
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0035	0.038	0.1445
Onchocerca volvulus		0.0017	0.0058	0.0085
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0025	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0247	0.0247
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0017	0.0058	0.0231
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0017	0.0058	0.0033
Schistosoma mansoni	nuclear receptor	0.0017	0.0058	0.0136
Echinococcus granulosus	FTZ F1 alpha	0.0035	0.038	0.1786
Loa Loa (eye worm)	DR-78	0.0017	0.0058	0.0058
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0035	0.038	0.0357
Onchocerca volvulus		0.009	0.1325	0.3299
Trichomonas vaginalis	set domain proteins, putative	0.0242	0.3965	1
Loa Loa (eye worm)	ShTK domain-containing protein	0.009	0.1325	0.1325
Echinococcus multilocularis	carboxylesterase 5A	0.0065	0.0905	0.3636
Schistosoma mansoni	hypothetical protein	0.0112	0.1707	0.6828
Echinococcus granulosus	acetylcholinesterase	0.0065	0.0905	0.425
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0035	0.038	0.0357
Brugia malayi	Protein kinase domain containing protein	0.0015	0.0024	0.000000037
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0058	0.0058
Brugia malayi	nuclear hormone receptor family member odr-7	0.0017	0.0058	0.0033
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0025	0.0025
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0021	0.0131	0.0082
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0157	0.2488	1
Onchocerca volvulus		0.0028	0.0247	0.0566
Brugia malayi	Carboxylesterase family protein	0.0065	0.0905	0.0883
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0035	0.038	0.038
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.0483	0.227
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0058	0.0058
Brugia malayi	Carboxylesterase family protein	0.0065	0.0905	0.0883

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 976 uM	Dose of the compound to inhibit the growth of human KB carcinoma cell line	ChEMBL.	16162013
ED50 (functional)	= 976 uM	Dose of the compound to inhibit the growth of human KB carcinoma cell line	ChEMBL.	16162013
IC50 (binding)	= 9.7 uM	Inhibition of recombinant trypanosoma brucei soluble vacuolar pyrophosphatase expressed in escherichia coli	ChEMBL.	16162013
IC50 (binding)	= 9.7 uM	Inhibition of recombinant trypanosoma brucei soluble vacuolar pyrophosphatase expressed in escherichia coli	ChEMBL.	16162013
IC50 (functional)	> 200 uM	In vitro growth inhibition against Entamoeba histolytica	ChEMBL.	14695831
IC50 (functional)	> 200 uM	In vitro growth inhibition against Plasmodium falciparum	ChEMBL.	14695831
IC50 (functional)	> 200 uM	In vitro growth inhibition against Entamoeba histolytica	ChEMBL.	14695831
IC50 (functional)	> 200 uM	In vitro growth inhibition against Plasmodium falciparum	ChEMBL.	14695831
IC50 (functional)	= 200 uM	Antimicrobial activity against Plasmodium falciparum	ChEMBL.	20185316
IC50 (functional)	= 200 uM	Antimicrobial activity against Entamoeba histolytica	ChEMBL.	20185316
IZ (functional)	= 0 mm	Antibacterial activity against Escherichia coli W3110	ChEMBL.	17149863
IZ (functional)	= 0 mm	Antibacterial activity against Escherichia coli W3110	ChEMBL.	17149863
LD50 (ADMET)	> 976 uM	Toxicity evaluated against human nasopharyngeal carcinoma KB cell line	ChEMBL.	14695831
LD50 (ADMET)	> 976 uM	Toxicity evaluated against human nasopharyngeal carcinoma KB cell line	ChEMBL.	14695831
TI (functional)	= 101	Ratio of ED50 against KB cell line to that of IC50 of TbVSP1	ChEMBL.	16162013
TI (functional)	= 101	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: CHEMBL55889
PubChem: 5277464

Bibliographic References

3 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 80557