TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 452.312 | Formula: C17H17N4O9P
H donors: 5 H acceptors: 10 LogP: -2.02 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2c1cccc(c1)C(=O)O)COP(=O)(O)O
InChi: 1S/C17H17N4O9P/c22-13-10(5-29-31(26,27)28)30-16(14(13)23)21-7-20-12-11(18-6-19-15(12)21)8-2-1-3-9(4-8)17(24)25/h1-4,6-7,10,13-14,16,22-23H,5H2,(H,24,25)(H2,26,27,28)/t10-,13-,14-,16-/m1/s1
InChiKey: KCNGOADUDNYFJI-DSPGLSBSSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	2'-deoxynucleoside 5'-phosphate N-hydrolase 1	Starlite/ChEMBL	References
Rattus norvegicus	2'-deoxynucleoside 5'-phosphate N-hydrolase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	hypothetical protein, conserved	2'-deoxynucleoside 5'-phosphate N-hydrolase 1	163 aa	161 aa	26.1 %
Trypanosoma cruzi	hypothetical protein, conserved	2'-deoxynucleoside 5'-phosphate N-hydrolase 1	163 aa	140 aa	25.7 %
Leishmania infantum	hypothetical protein, conserved	2'-deoxynucleoside 5'-phosphate N-hydrolase 1	163 aa	170 aa	27.6 %
Candida albicans	one of three chitinase genes similar to S. cerevisiae CTS1 (YLR286C)	2'-deoxynucleoside 5'-phosphate N-hydrolase 1	163 aa	146 aa	22.6 %
Leishmania mexicana	hypothetical protein, conserved	2'-deoxynucleoside 5'-phosphate N-hydrolase 1	163 aa	169 aa	29.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0025	0.0167	0.0259
Mycobacterium ulcerans	oxidoreductase	0.0031	0.0262	0.0988
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0262	0.0464
Trypanosoma brucei	aldo-keto reductase, putative	0.0031	0.0262	0.0399
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0144	0.0424
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0262	0.0215
Giardia lamblia	Aldose reductase	0.0031	0.0262	0.0454
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0257	0.021
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0025	0.0167	0.012
Schistosoma mansoni	aldo-keto reductase	0.0031	0.0262	0.0215
Echinococcus granulosus	flap endonuclease 1	0.0025	0.0179	0.0132
Onchocerca volvulus		0.0031	0.0262	0.0656
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0166	0.019
Onchocerca volvulus		0.0025	0.0167	0.0366
Brugia malayi	TAR-binding protein	0.0062	0.073	0.158
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.073	0.0686
Schistosoma mansoni	transcription factor btf3	0.0034	0.0311	0.0264
Brugia malayi	bHLH-PAS transcription factor	0.007	0.0858	0.1858
Brugia malayi	glutathione reductase	0.0037	0.0353	0.0764
Mycobacterium tuberculosis	Probable dehydrogenase	0.0084	0.107	0.4886
Brugia malayi	Pre-SET motif family protein	0.0031	0.0257	0.0555
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.4116	0.8804
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0144	0.0424
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0262	0.0454
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0025	0.0179	0.0217
Loa Loa (eye worm)	glutathione reductase	0.0037	0.0353	0.0668
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0262	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0932	0.1934
Trypanosoma cruzi	hypothetical protein, conserved	0.0322	0.4669	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0205	0.2893	0.6222
Onchocerca volvulus		0.0233	0.3319	1
Leishmania major	prostaglandin f synthase, putative	0.0031	0.0262	0.0399
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0144	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0055	0.0017
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.4116	0.8804
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0079	0.0171
Trypanosoma brucei	trypanothione reductase	0.0037	0.0353	0.0597
Brugia malayi	hypothetical protein	0.0025	0.0166	0.036
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0231	0.329	0.3258
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.4116	0.8804
Giardia lamblia	Fructose-bisphosphate aldolase	0.0285	0.4116	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0079	0.0179
Echinococcus multilocularis	tumor protein p63	0.033	0.4791	0.4766
Schistosoma mansoni	pol-related	0.0031	0.0262	0.0215
Echinococcus granulosus	tumor protein p63	0.033	0.4791	0.4766
Schistosoma mansoni	single-minded	0.0095	0.1232	0.1191
Schistosoma mansoni	microtubule-associated protein tau	0.0674	1	1
Trypanosoma brucei	nucleoside 2-deoxyribosyltransferase	0.0322	0.4669	1
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0262	0.0454
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0025	0.0167	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.0262	0.0464
Echinococcus granulosus	dna polymerase eta	0.0019	0.0079	0.0031
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0262	0.0469
Trypanosoma cruzi	hypothetical protein	0.0322	0.4669	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0262	0.0215
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0144	0.0312
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0824	0.168
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0262	0.0454
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.047	0.0924
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0025	0.0179	0.0217
Leishmania major	protein kinase, putative	0.0025	0.0167	0.0193
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.0353	1
Echinococcus multilocularis	polycomb protein suz12 A	0.0318	0.4611	0.4585
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0262	0.0215
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0257	0.021
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0219	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0055	0.0017
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0064	0.077	0.0726
Echinococcus granulosus	aldo keto reductase	0.0031	0.0262	0.0215
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0079	0.0031
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0017	0.0048	0.003
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.4116	0.8804
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0262	0.0215
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0025	0.0167	0.0193
Trypanosoma brucei	transcription factor BTF3, putative	0.0034	0.0311	0.0505
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.4116	0.8804
Leishmania major	basic transcription factor 3a, putative	0.0034	0.0311	0.0505
Trichomonas vaginalis	adenylate cyclase, type VII, putative	0.0025	0.0167	0.0259
Brugia malayi	Heterochromatin protein 1	0.0068	0.0824	0.1783
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0094	0.1212	0.5562
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0371	0.07
Onchocerca volvulus		0.0031	0.0262	0.0656
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0295	0.426	0.911
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.0353	0.1481
Brugia malayi	Pre-SET motif family protein	0.0205	0.2893	0.6261
Toxoplasma gondii	aldose reductase, putative	0.0031	0.0262	0.2753
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0139	0.1905	0.8854
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0257	0.021
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0415	0.1123
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0295	0.426	0.911
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0231	0.329	0.3258
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0262	0.0215
Plasmodium vivax	flap endonuclease 1, putative	0.0025	0.0179	0.414
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0094	0.1212	0.6104
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0231	0.329	0.7091
Trypanosoma cruzi	hypothetical protein, conserved	0.0322	0.4669	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0262	0.0215
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0166	0.3725
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0025	0.0167	0.0259
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.047	0.0424
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0262	0.0215
Echinococcus granulosus	tar DNA binding protein	0.0062	0.073	0.0686
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.1907	0.3984
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0094	0.1212	0.5562
Schistosoma mansoni	aryl hydrocarbon receptor	0.0095	0.1232	0.1191
Leishmania major	hypothetical protein, conserved	0.0322	0.4669	1
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0262	0.0215
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0079	0.0179
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0262	0.0464
Schistosoma mansoni	hypothetical protein	0.0318	0.4611	0.4585
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0262	0.0215
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0155	0.2146	1
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0311	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0262	0.0469
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0055	0.0068
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0064	0.077	0.0726
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0262	0.0215
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.047	0.1017
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.4116	0.8804
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0262	0.0567
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0031	0.0262	0.0399
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0025	0.0167	0.0193
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0147	0.2023	0.9414
Echinococcus granulosus	histone lysine N methyltransferase Ez	0.0093	0.1206	0.1164
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0231	0.329	0.3258
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0144	0.0142
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0262	0.0215
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0079	0.0068
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0025	0.0179	0.0355
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0079	0.0031
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0144	0.0489
Brugia malayi	chromobox protein homolog 3	0.0038	0.0371	0.0803
Echinococcus multilocularis	transfer RNA-Lys	0.007	0.0858	0.0815
Mycobacterium tuberculosis	Probable reductase	0.0084	0.107	0.4886
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0064	0.077	0.1505
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0025	0.0179	0.0217
Mycobacterium ulcerans	putative regulatory protein	0.007	0.0858	0.3841
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0055	0.0017
Trichomonas vaginalis	set domain proteins, putative	0.0233	0.3319	0.7078
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0167	0.0262
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0525	0.048
Schistosoma mansoni	embryonic ectoderm development protein	0.0093	0.1199	0.1157
Entamoeba histolytica	transcription factor BTF3, putative	0.0034	0.0311	0.0574
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0042	0.0425	0.038
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0079	0.0031
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0262	0.0215
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0144	0.0424
Brugia malayi	Carboxylesterase family protein	0.0017	0.0048	0.0103
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0422	0.0747
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0025	0.0167	0.0193
Echinococcus granulosus	polycomb protein suz12 A	0.0318	0.4611	0.4585
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.047	0.0424
Echinococcus granulosus	aldehyde reductase	0.0022	0.0126	0.0079
Loa Loa (eye worm)	hypothetical protein	0.003	0.0246	0.0435
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0144	0.0142
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0262	0.0464
Brugia malayi	hypothetical protein	0.0016	0.0034	0.0074
Leishmania major	aldo-keto reductase-like protein	0.0031	0.0262	0.0399
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0144	0.0489
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.0559	0.1046
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0055	0.0017
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0824	0.078
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0262	0.0215
Onchocerca volvulus		0.007	0.0858	0.2479
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0084	0.107	0.4886
Trichomonas vaginalis	flap endonuclease-1, putative	0.0025	0.0179	0.0284
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0079	0.0031
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0025	0.0167	0.0193
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0262	0.0567
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0415	0.0795
Giardia lamblia	Flap structure-specific endonuclease	0.0025	0.0179	0.0247
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0311	0.0569
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0262	0.0215
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0262	0.0215
Loa Loa (eye worm)	WD domain-containing protein	0.0093	0.1199	0.2518
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0025	0.0167	0.0193
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0144	0.0424
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0422	0.0747
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0262	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0144	0.0211
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0144	0.0162
Brugia malayi	RNA binding protein	0.0062	0.073	0.158
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.077	0.1505
Schistosoma mansoni	flap endonuclease-1	0.0023	0.0142	0.0095
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0166	0.019
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0079	0.0112
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0415	0.0795
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0371	0.07
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0285	0.4116	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0084	0.107	0.5303
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0257	0.021
Brugia malayi	hypothetical protein	0.0075	0.0932	0.2017
Mycobacterium ulcerans	carboxylesterase, LipT	0.0147	0.2023	0.941
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0144	0.0424
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0084	0.107	0.4886
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0079	0.0171
Onchocerca volvulus		0.0031	0.0262	0.0656
Echinococcus granulosus	chromobox protein 1	0.0068	0.0824	0.078
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0144	0.0162
Treponema pallidum	fructose-bisphosphate aldolase	0.0285	0.4116	0.5
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0262	0.0469
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0166	0.026
Leishmania major	trypanothione reductase	0.0037	0.0353	0.0597
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.0359	0.0313
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0262	0.0215
Mycobacterium ulcerans	hypothetical protein	0.0155	0.2146	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0144	0.0211
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0262	0.0464
Echinococcus granulosus	chromobox protein 1	0.0068	0.0824	0.078
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0262	0.0567
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0262	0.0215
Plasmodium falciparum	basic transcription factor 3b, putative	0.0034	0.0311	0.8576
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.0167	0.0259
Leishmania major	mitochondrial DNA polymerase beta	0.0295	0.426	0.911
Plasmodium vivax	SET domain protein, putative	0.0031	0.0257	0.6762
Brugia malayi	Carboxylesterase family protein	0.0017	0.0048	0.0103
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.047	0.0424
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.0167	0.0259
Schistosoma mansoni	hypothetical protein	0.0165	0.23	0.2263
Trypanosoma cruzi	hypothetical protein, conserved	0.0322	0.4669	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0257	0.021
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.0262	0.0464
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.047	0.0424
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0295	0.426	0.911
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0144	0.0424
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0079	0.0031
Brugia malayi	PAS domain containing protein	0.0095	0.1232	0.2667
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.0824	0.1697
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0079	0.0031
Entamoeba histolytica	hypothetical protein	0.0034	0.0311	0.0574
Onchocerca volvulus		0.0075	0.0932	0.2705
Echinococcus multilocularis	aldehyde reductase	0.0022	0.0126	0.0079
Plasmodium falciparum	glutathione reductase	0.0037	0.0353	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0139	0.1905	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0262	0.0215
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0144	0.0312
Echinococcus granulosus	single minded 2	0.007	0.0858	0.0815
Trypanosoma brucei	prostaglandin f synthase	0.0031	0.0262	0.0399
Plasmodium falciparum	thioredoxin reductase	0.0037	0.0353	1
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0025	0.0167	0.0193
Brugia malayi	Flap endonuclease-1	0.0025	0.0179	0.0387
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0144	0.0211
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.073	0.0686
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0371	0.0707
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.073	0.158
Echinococcus multilocularis	flap endonuclease 1	0.0025	0.0179	0.0132
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0262	0.0464
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0079	0.0068
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0144	0.0312
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.0262	0.0464
Onchocerca volvulus		0.0031	0.0262	0.0656
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0037	0.036	0.0314
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.073	0.1493
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0262	0.0215
Brugia malayi	SET domain containing protein	0.0093	0.1206	0.2609
Echinococcus granulosus	polycomb protein EED	0.0093	0.1199	0.1157
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0262	0.0215
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0144	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0079	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0525	0.1044
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0257	0.0457
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0262	0.0464
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.073	0.1493
Onchocerca volvulus		0.003	0.0246	0.0608
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0079	0.0112
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0262	0.0469
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.073	0.0686
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0084	0.107	0.4886
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.073	0.0686
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0231	0.329	0.3258
Mycobacterium leprae	Possible regulatory protein	0.0025	0.0167	0.0231
Loa Loa (eye worm)	flap endonuclease-1	0.0025	0.0179	0.0287
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0262	0.0464
Loa Loa (eye worm)	SET domain-containing protein	0.0093	0.1206	0.2532
Leishmania major	protein kinase, putative	0.0025	0.0167	0.0193
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0257	0.021
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0031	0.0262	0.0399
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0144	0.0142
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0294	0.4247	0.9182
Schistosoma mansoni	hypothetical protein	0.0165	0.23	0.2263
Echinococcus multilocularis	polycomb protein EED	0.0093	0.1199	0.1157
Echinococcus multilocularis	microtubule associated protein 2	0.0674	1	1
Toxoplasma gondii	thioredoxin reductase	0.0037	0.0353	0.537
Echinococcus granulosus	aldo keto reductase	0.0031	0.0262	0.0215
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0166	0.3725
Brugia malayi	hypoxia-induced factor 1	0.0294	0.4247	0.9191
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.0262	0.0464
Onchocerca volvulus		0.0031	0.0262	0.0656
Brugia malayi	Carboxylesterase family protein	0.0017	0.0048	0.0103
Toxoplasma gondii	hypothetical protein	0.0048	0.0514	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.047	0.0424
Trypanosoma cruzi	transcription factor btf3, putative	0.0034	0.0311	0.0505
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0202	0.0335
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0202	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0055	0.0017
Brugia malayi	Thioredoxin reductase	0.0037	0.0353	0.0764
Trichomonas vaginalis	guanylate cyclase, putative	0.0025	0.0167	0.0259
Mycobacterium tuberculosis	Probable oxidoreductase	0.0094	0.1212	0.5562
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0262	0.0215
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0262	0.0464
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0144	0.01
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0824	0.168
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0262	0.0469
Schistosoma mansoni	chromobox protein	0.0068	0.0824	0.078
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0041	0.0422	0.0747
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0025	0.0167	0.0259
Onchocerca volvulus		0.0031	0.0262	0.0656
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0262	0.0215
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0084	0.107	0.4886
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0371	0.0989
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.0262	0.0464
Echinococcus granulosus	geminin	0.0165	0.23	0.2263
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0262	0.0464
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0079	0.0031
Trypanosoma cruzi	aldo/keto reductase, putative	0.0031	0.0262	0.0399
Schistosoma mansoni	enhancer of zeste ezh	0.0093	0.1206	0.1164
Onchocerca volvulus		0.0042	0.0425	0.1155
Onchocerca volvulus		0.0023	0.0144	0.0295
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.0353	0.0668
Trichomonas vaginalis	guanylate cyclase, putative	0.0025	0.0167	0.0259
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.0359	0.0313
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0311	0.0569
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0025	0.0167	0.0259
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0257	0.2599
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.047	0.0424
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.077	0.1505
Brugia malayi	WD domain containing protein	0.0093	0.1199	0.2595
Brugia malayi	Carboxylesterase family protein	0.0017	0.0048	0.0103
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0031	0.0262	0.0763
Mycobacterium tuberculosis	Probable oxidoreductase	0.0031	0.0262	0.1049
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.014	0.1907	0.3984
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.0167	0.0259
Echinococcus multilocularis	histone lysine N methyltransferase E(z)	0.0093	0.1206	0.1164
Echinococcus granulosus	hypothetical protein	0.0031	0.0262	0.0215
Brugia malayi	beta-NAC-like protein	0.0034	0.0311	0.0672
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.073	0.0686
Echinococcus multilocularis	geminin	0.0165	0.23	0.2263
Loa Loa (eye worm)	ICD-1 protein	0.0034	0.0311	0.0575
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0017	0.0048	0.003
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.4116	0.8804
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.0262	0.0464
Entamoeba histolytica	Flap nuclease, putative	0.0025	0.0179	0.0247
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0064	0.077	0.1666
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	0.4116	0.8804
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0064	0.077	0.1579
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0025	0.0167	0.0193
Schistosoma mansoni	chromobox protein	0.0068	0.0824	0.078
Brugia malayi	hypothetical protein	0.0017	0.0048	0.0103
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0285	0.4116	1
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0025	0.0167	0.0262
Brugia malayi	hypothetical protein	0.0319	0.4621	1
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0824	0.078
Trichomonas vaginalis	conserved hypothetical protein	0.0322	0.4669	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0262	0.0464
Echinococcus multilocularis	transcription factor btf3	0.0034	0.0311	0.0264
Echinococcus granulosus	aldo keto reductase	0.0031	0.0262	0.0215
Leishmania major	hypothetical protein, conserved	0.0025	0.0166	0.019
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0166	0.019
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0139	0.1905	0.8847
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0262	0.0469
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0079	0.0068
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.077	0.1505
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0144	0.0424
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0166	0.3725
Brugia malayi	Carboxylesterase family protein	0.0017	0.0048	0.0103
Giardia lamblia	Aldose reductase	0.0031	0.0262	0.0454
Plasmodium falciparum	flap endonuclease 1	0.0025	0.0179	0.414
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.1907	0.3984
Echinococcus granulosus	aryl hydrocarbon receptor	0.0025	0.0167	0.012
Plasmodium vivax	basic transcription factor 3b, putative	0.0034	0.0311	0.8576
Toxoplasma gondii	NAC domain-containing protein	0.0034	0.0311	0.4151
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0262	0.0464
Echinococcus granulosus	transcription factor btf3	0.0034	0.0311	0.0264
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.073	0.0686
Echinococcus granulosus	thioredoxin glutathione reductase	0.0037	0.036	0.0314
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0262	0.0567
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0262	0.0215
Trypanosoma cruzi	hypothetical protein	0.0322	0.4669	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.047	0.0424
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0231	0.329	0.712
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0064	0.077	0.1711
Loa Loa (eye worm)	RNA binding protein	0.0062	0.073	0.1493
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0041	0.0422	0.0747
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0025	0.0167	0.012
Plasmodium vivax	glutathione reductase, putative	0.0037	0.0353	1
Schistosoma mansoni	aldo-keto reductase	0.0031	0.0262	0.0215
Trichomonas vaginalis	adenylate cyclase, putative	0.0025	0.0167	0.0259
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0079	0.0031
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0064	0.077	0.0726
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0144	0.01
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0025	0.0167	0.012
Trypanosoma cruzi	transcription factor btf3, putative	0.0034	0.0311	0.0505
Loa Loa (eye worm)	hypothetical protein	0.0319	0.4621	1
Onchocerca volvulus		0.0048	0.0525	0.1459
Trypanosoma cruzi	aldo-keto reductase	0.0031	0.0262	0.0399
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0231	0.329	0.3258
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.0353	0.0597
Brugia malayi	Carboxylesterase family protein	0.0017	0.0048	0.0103

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 2.9 uM	Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically	ChEMBL.	25108359
Ki (binding)	= 5.3 uM	Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically	ChEMBL.	25108359

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: CHEMBL3329986

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 928214