TDR Targets

Basic information

Technical information

TDR Targets ID: 1291037
Name: 1,3,7-trimethyl-8-[4-(4-nitrophenyl)piperazin -1-yl]purine-2,6-dione
MW: 399.404 | Formula: C18H21N7O4
H donors: 0 H acceptors: 5 LogP: 1.45 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)c1nc2c(n1C)c(=O)n(c(=O)n2C)C
InChi: 1S/C18H21N7O4/c1-20-14-15(21(2)18(27)22(3)16(14)26)19-17(20)24-10-8-23(9-11-24)12-4-6-13(7-5-12)25(28)29/h4-7H,8-11H2,1-3H3
InChiKey: ORSGITBIWYHLPD-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

1,3,7-trimethyl-8-[4-(4-nitrophenyl)-1-piperazinyl]purine-2,6-dione
1,3,7-trimethyl-8-[4-(4-nitrophenyl)piperazin-1-yl]xanthine
1,3,7-Trimethyl-8-[4-(4-nitro-phenyl)-piperazin-1-yl]-3,7-dihydro-purine-2,6-dione
Oprea1_767372
ZINC03998382
STK050241
MLS000780269
SMR000420452

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Homo sapiens	neuropeptide S receptor 1	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus multilocularis	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus multilocularis	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0053	0.0254	0.0268
Schistosoma mansoni	hypothetical protein	0.035	0.2759	0.2914
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0138	0.0975	0.103
Plasmodium vivax	alpha/beta hydrolase, putative	0.0053	0.0254	0.0264
Plasmodium vivax	unspecified product	0.0053	0.0254	0.0264
Echinococcus granulosus	neuropeptide s receptor	0.0558	0.4518	0.4772
Echinococcus granulosus	methionyl tRNA synthetase cytoplasmic	0.0065	0.0359	0.0379
Schistosoma mansoni	topbp1	0.003	0.0062	0.0065
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0053	0.0254	0.0238
Wolbachia endosymbiont of Brugia malayi	leucyl-tRNA synthetase	0.0065	0.0359	0.2504
Toxoplasma gondii	protein c14orf29, putative	0.0053	0.0254	0.1619
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0053	0.0254	0.0264
Schistosoma mansoni	Smad4	0.0037	0.012	0.0127
Treponema pallidum	leucyl-tRNA synthetase	0.0065	0.0359	0.3254
Schistosoma mansoni	smad	0.0082	0.0504	0.0532
Loa Loa (eye worm)	MH1 domain-containing protein	0.0082	0.0504	0.0445
Onchocerca volvulus	Mothers against decapentaplegic homolog	0.0037	0.012	0.0468
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0359	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0254	0.0193
Leishmania major	leucyl-tRNA synthetase, putative	0.0065	0.0359	0.0383
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0138	0.0975	0.103
Giardia lamblia	Methionyl-tRNA synthetase	0.0171	0.1248	1
Plasmodium falciparum	exported lipase 1	0.0053	0.0254	0.0264
Echinococcus granulosus	neuropeptide receptor A26	0.0558	0.4518	0.4772
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0512	0.4124	0.4088
Schistosoma mansoni	methionine-tRNA synthetase	0.0065	0.0359	0.0379
Brugia malayi	TAR-binding protein	0.0126	0.0871	0.0814
Schistosoma mansoni	peptidase	0.0053	0.0254	0.0268
Echinococcus multilocularis	replication factor c subunit 1	0.003	0.0062	0.0065
Echinococcus granulosus	fatty acid amide hydrolase 1	0.1146	0.9469	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0359	0.0299
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.1146	0.9469	1
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0138	0.0975	0.103
Loa Loa (eye worm)	hypothetical protein	0.018	0.1331	0.1277
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.0053	0.0254	0.0264
Loa Loa (eye worm)	methionyl-tRNA synthetase	0.0171	0.1248	0.1194
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0082	0.0504	0.0532
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0053	0.0254	0.0264
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0053	0.0254	0.0264
Plasmodium falciparum	esterase, putative	0.0053	0.0254	0.0264
Schistosoma mansoni	hypothetical protein	0.0205	0.1535	0.1621
Plasmodium vivax	unspecified product	0.0053	0.0254	0.0264
Brugia malayi	isocitrate dehydrogenase	0.0032	0.0081	0.0019
Brugia malayi	MH2 domain containing protein	0.0082	0.0504	0.0445
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0138	0.0975	0.1254
Echinococcus multilocularis	GPCR, family 2	0.0162	0.1175	0.1241
Plasmodium vivax	PST-A protein	0.0053	0.0254	0.0264
Trypanosoma cruzi	methionyl-tRNA synthetase, putative	0.0171	0.1248	0.1629
Echinococcus granulosus	fatty acid amide hydrolase 1	0.1146	0.9469	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0037	0.012	0.0059
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.6836	0.7219
Plasmodium vivax	PST-A protein	0.0053	0.0254	0.0264
Leishmania major	hypothetical protein, conserved	0.005	0.0234	0.021
Plasmodium falciparum	methionine--tRNA ligase, putative	0.0065	0.0359	0.0408
Plasmodium vivax	lysophospholipase, putative	0.0053	0.0254	0.0264
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0037	0.012	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0162	0.1175	0.112
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0037	0.012	0.0127
Mycobacterium ulcerans	amidase	0.0138	0.0975	0.1254
Brugia malayi	MH1 domain containing protein	0.0082	0.0504	0.0445
Schistosoma mansoni	topbp1	0.003	0.0062	0.0065
Brugia malayi	Amidase family protein	0.0138	0.0975	0.0919
Brugia malayi	MH2 domain containing protein	0.0082	0.0504	0.0445
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.0871	0.092
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0254	0.0193
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0254	0.0264
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0254	0.0264
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0894	0.7345	1
Brugia malayi	putative amidase	0.0138	0.0975	0.0919
Echinococcus granulosus	mothers against decapentaplegic 2	0.0037	0.012	0.0127
Echinococcus multilocularis	monoacylglycerol lipase abhd12	0.0053	0.0254	0.0268
Plasmodium falciparum	alpha/beta-hydrolase, putative	0.0053	0.0254	0.0264
Brugia malayi	Smad1	0.0082	0.0504	0.0445
Plasmodium vivax	hypothetical protein, conserved	0.0053	0.0254	0.0264
Toxoplasma gondii	LsmAD domain-containing protein	0.005	0.0234	0.1448
Brugia malayi	MH1 domain containing protein	0.0082	0.0504	0.0445
Plasmodium vivax	methionine--tRNA ligase, putative	0.0065	0.0359	0.0408
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0053	0.0254	0.0264
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0512	0.4124	0.4088
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0254	0.0193
Plasmodium vivax	alpha/beta hydrolase, putative	0.0053	0.0254	0.0264
Leishmania major	Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X	0.0053	0.0254	0.0238
Mycobacterium ulcerans	methionyl-tRNA synthetase	0.0171	0.1248	0.1629
Entamoeba histolytica	methionyl-tRNA synthetase, putative	0.0065	0.0359	0.0408
Plasmodium falciparum	lysophospholipase, putative	0.0053	0.0254	0.0264
Schistosoma mansoni	fatty-acid amide hydrolase	0.0138	0.0975	0.103
Brugia malayi	Protein C20orf22	0.0053	0.0254	0.0193
Plasmodium vivax	lysophospholipase, putative	0.0053	0.0254	0.0264
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0053	0.0254	0.0264
Loa Loa (eye worm)	TAR-binding protein	0.0126	0.0871	0.0814
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0032	0.0081	0.0026
Echinococcus granulosus	Smad4	0.0082	0.0504	0.0532
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0894	0.7345	1
Toxoplasma gondii	hypothetical protein	0.0053	0.0254	0.1619
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0254	0.0193
Trichomonas vaginalis	conserved hypothetical protein	0.0894	0.7345	1
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.0871	0.092
Brugia malayi	methionyl-tRNA synthetase	0.0171	0.1248	0.1194
Leishmania major	hypothetical protein, conserved	0.0138	0.0975	0.1231
Loa Loa (eye worm)	hypothetical protein	0.0177	0.1306	0.1252
Loa Loa (eye worm)	amidase	0.0138	0.0975	0.0919
Plasmodium vivax	PST-A protein	0.0053	0.0254	0.0264
Echinococcus multilocularis	smad	0.0082	0.0504	0.0532
Schistosoma mansoni	methionine-tRNA synthetase	0.0171	0.1248	0.1319
Plasmodium falciparum	epoxide hydrolase 2	0.0053	0.0254	0.0264
Toxoplasma gondii	hypothetical protein	0.0053	0.0254	0.1619
Brugia malayi	latrophilin 2 splice variant baaae	0.035	0.2759	0.2714
Echinococcus granulosus	smad	0.0082	0.0504	0.0532
Loa Loa (eye worm)	RNA binding protein	0.0126	0.0871	0.0814
Brugia malayi	mothers against decapentaplegic homolog 3	0.0037	0.012	0.0059
Chlamydia trachomatis	leucine--tRNA ligase	0.0065	0.0359	0.3254
Plasmodium vivax	ataxin-2 like protein, putative	0.005	0.0234	0.0236
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.003	0.0062	0.00000038866
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.0871	0.092
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0053	0.0254	0.0264
Plasmodium falciparum	alpha/beta hydrolase fold domain containing protein, putative	0.0053	0.0254	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0512	0.4124	0.4088
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0162	0.1175	0.112
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.6836	0.7219
Plasmodium vivax	PST-A protein	0.0053	0.0254	0.0264
Plasmodium vivax	hypothetical protein, conserved	0.0053	0.0254	0.0264
Trypanosoma brucei	monoglyceride lipase, putative	0.0894	0.7345	1
Schistosoma mansoni	smad	0.0037	0.012	0.0127
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0032	0.0081	0.0019
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0254	0.0264
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0126	0.0871	0.0814
Echinococcus granulosus	abhydrolase domain containing 3	0.0053	0.0254	0.0268
Toxoplasma gondii	isocitrate dehydrogenase	0.0032	0.0081	0.016
Echinococcus multilocularis	geminin	0.0205	0.1535	0.1621
Loa Loa (eye worm)	nuclear factor I	0.0046	0.0194	0.0133
Echinococcus granulosus	muscleblind protein	0.018	0.1331	0.1405
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0138	0.0975	0.1254
Schistosoma mansoni	smad1 5 8 and	0.0082	0.0504	0.0532
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.0871	0.092
Brugia malayi	Latrophilin receptor protein 2	0.0162	0.1175	0.112
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0032	0.0081	0.0026
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0138	0.0975	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0162	0.1175	0.112
Brugia malayi	hypothetical protein	0.005	0.0234	0.0173
Echinococcus multilocularis	methionyl tRNA synthetase, cytoplasmic	0.0065	0.0359	0.0379
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0053	0.0254	0.0264
Entamoeba histolytica	hypothetical protein	0.0053	0.0254	0.0264
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0053	0.0254	0.0264
Loa Loa (eye worm)	hypothetical protein	0.005	0.0234	0.0173
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0053	0.0254	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0194	0.0133
Plasmodium vivax	hypothetical protein, conserved	0.0053	0.0254	0.0264
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0138	0.0975	0.1254
Brugia malayi	RNA recognition motif domain containing protein	0.0126	0.0871	0.0814
Echinococcus granulosus	mothers against decapentaplegic 5	0.0082	0.0504	0.0532
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.6836	0.7219
Loa Loa (eye worm)	Smad1	0.0082	0.0504	0.0445
Schistosoma mansoni	hypothetical protein	0.0162	0.1175	0.1241
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0032	0.0081	0.0026
Brugia malayi	N-terminal motif family protein	0.0177	0.1306	0.1252
Trypanosoma cruzi	Serine peptidase, Clan SC, Family S09X, putative	0.0053	0.0254	0.0264
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.0234	0.0236
Onchocerca volvulus		0.0105	0.0699	0.5122
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0138	0.0975	0.1231
Brugia malayi	MGC79044 protein	0.0053	0.0254	0.0193
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0254	0.0264
Schistosoma mansoni	hypothetical protein	0.0205	0.1535	0.1621
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A)	0.0138	0.0975	0.1254
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.0081	0.0085
Toxoplasma gondii	isocitrate dehydrogenase	0.0032	0.0081	0.016
Echinococcus multilocularis	neuropeptide receptor A26	0.0558	0.4518	0.4772
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.0234	0.0236
Loa Loa (eye worm)	MH1 domain-containing protein	0.0037	0.012	0.0059
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.003	0.0062	0.00000038866
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0032	0.0081	0.0026
Echinococcus multilocularis	Phospholipase carboxylesterase	0.0053	0.0254	0.0268
Chlamydia trachomatis	methionine--tRNA ligase	0.0065	0.0359	0.3254
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0162	0.1175	0.1241
Mycobacterium ulcerans	lysophospholipase	0.0894	0.7345	1
Leishmania major	hypothetical protein, conserved	0.0053	0.0254	0.0238
Echinococcus multilocularis	muscleblind protein 1	0.018	0.1331	0.1405
Echinococcus granulosus	GPCR family 2	0.0162	0.1175	0.1241
Echinococcus multilocularis	isocitrate dehydrogenase	0.0032	0.0081	0.0085
Plasmodium falciparum	lysophospholipase, putative	0.0894	0.7345	1
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0894	0.7345	1
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0053	0.0254	0.0264
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0053	0.0254	0.0264
Entamoeba histolytica	hypothetical protein	0.0053	0.0254	0.0264
Loa Loa (eye worm)	hypothetical protein	0.1146	0.9469	0.9465
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0082	0.0504	0.0532
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0053	0.0254	0.1619
Trichomonas vaginalis	replication factor C large subunit, putative	0.003	0.0062	0.00000038866
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0894	0.7345	1
Schistosoma mansoni	Smad4	0.0037	0.012	0.0127
Echinococcus granulosus	abhydrolase domain containing protein 13	0.0053	0.0254	0.0268
Mycobacterium ulcerans	amidase	0.0138	0.0975	0.1254
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0082	0.0504	0.0532
Echinococcus multilocularis	leucyl tRNA synthetase	0.0065	0.0359	0.0379
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0053	0.0254	0.1619
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.1146	0.9469	1
Echinococcus granulosus	nibrin	0.003	0.0062	0.0065
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0138	0.0975	0.1231
Schistosoma mansoni	hypothetical protein	0.0162	0.1175	0.1241
Wolbachia endosymbiont of Brugia malayi	methionyl-tRNA synthetase	0.0171	0.1248	1
Trichomonas vaginalis	methionine-tRNA synthetase, putative	0.0171	0.1248	0.1629
Brugia malayi	amidase	0.1146	0.9469	0.9465
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0053	0.0254	0.0264
Echinococcus multilocularis	methionine tRNA synthetase	0.0171	0.1248	0.1319
Brugia malayi	Isocitrate dehydrogenase	0.0032	0.0081	0.0019
Schistosoma mansoni	smad1 5 8 and	0.0082	0.0504	0.0532
Schistosoma mansoni	hypothetical protein	0.0162	0.1175	0.1241
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.0081	0.0085
Mycobacterium tuberculosis	Possible lysophospholipase	0.0894	0.7345	1
Brugia malayi	RNA binding protein	0.0126	0.0871	0.0814
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0053	0.0254	0.0264
Mycobacterium ulcerans	amidase	0.0138	0.0975	0.1254
Mycobacterium ulcerans	leucyl-tRNA synthetase	0.0065	0.0359	0.0408
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0138	0.0975	1
Entamoeba histolytica	;Alias	0.0053	0.0254	0.0264
Schistosoma mansoni	amidase	0.1146	0.9469	1
Toxoplasma gondii	phospholipase/carboxylesterase	0.0053	0.0254	0.1619
Mycobacterium ulcerans	hydrolase	0.0053	0.0254	0.0264
Echinococcus granulosus	Phospholipase carboxylesterase	0.0053	0.0254	0.0268
Trypanosoma brucei	Serine peptidase, Clan SC, Family S09X	0.0053	0.0254	0.0264
Echinococcus granulosus	tar DNA binding protein	0.0126	0.0871	0.092
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0254	0.0264
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0138	0.0975	0.7695
Brugia malayi	Muscleblind-like protein	0.018	0.1331	0.1277
Mycobacterium leprae	Probable methionyl-tRNA synthase MetS	0.0171	0.1248	0.1629
Echinococcus granulosus	geminin	0.0205	0.1535	0.1621
Toxoplasma gondii	peptidase S15, putative	0.0053	0.0254	0.1619
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0032	0.0081	0.0026
Loa Loa (eye worm)	MH2 domain-containing protein	0.0082	0.0504	0.0445
Echinococcus granulosus	methionine tRNA synthetase	0.0171	0.1248	0.1319
Plasmodium vivax	lysophospholipase, putative	0.0053	0.0254	0.0264
Echinococcus granulosus	monoacylglycerol lipase abhd12	0.0053	0.0254	0.0268
Schistosoma mansoni	DNA ligase IV	0.003	0.0062	0.0065
Plasmodium falciparum	lysophospholipase, putative	0.0894	0.7345	1
Trypanosoma cruzi	amidase, putative	0.0138	0.0975	0.1254
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.003	0.0062	0.00000038866
Loa Loa (eye worm)	hypothetical protein	0.035	0.2759	0.2714
Plasmodium falciparum	lysophospholipase, putative	0.0894	0.7345	1
Trypanosoma brucei	PAB1-binding protein , putative	0.005	0.0234	0.0236
Toxoplasma gondii	esterase/lipase/thioesterase domain-containing protein	0.0053	0.0254	0.1619
Schistosoma mansoni	hypothetical protein	0.0162	0.1175	0.1241
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0053	0.0254	0.0268
Echinococcus multilocularis	Smad4	0.0082	0.0504	0.0532
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0053	0.0254	0.0264
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0162	0.1175	0.1241
Toxoplasma gondii	tRNA ligases class I (M) protein	0.0065	0.0359	0.2504
Echinococcus multilocularis	abhydrolase domain containing 3	0.0053	0.0254	0.0268
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0894	0.7345	1
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0138	0.0975	0.1231
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0053	0.0254	0.0264
Schistosoma mansoni	chromosome transmission fidelity factor	0.003	0.0062	0.0065
Plasmodium falciparum	methionine--tRNA ligase	0.0171	0.1248	0.1629
Loa Loa (eye worm)	hypothetical protein	0.018	0.1331	0.1277
Echinococcus multilocularis	nibrin	0.003	0.0062	0.0065
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0894	0.7345	1
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0138	0.0975	0.1231
Toxoplasma gondii	hypothetical protein	0.0053	0.0254	0.1619
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0359	0.0299
Echinococcus granulosus	mothers against decapentaplegic 6	0.0037	0.012	0.0127
Trypanosoma cruzi	hydrolase, alpha/beta fold family, putative	0.0053	0.0254	0.0264
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.8066	0.8518
Plasmodium vivax	PST-A protein	0.0894	0.7345	1
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0138	0.0975	0.1254
Mycobacterium ulcerans	amidase	0.0138	0.0975	0.1254
Toxoplasma gondii	ATPase, AAA family protein	0.003	0.0062	0.0000023855
Echinococcus multilocularis	tar DNA binding protein	0.0126	0.0871	0.092
Brugia malayi	protein ZK524.3	0.0065	0.0359	0.0299
Leishmania major	monoglyceride lipase, putative	0.0894	0.7345	1
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0254	0.0264
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0512	0.4124	0.4088
Mycobacterium tuberculosis	Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase)	0.0171	0.1248	0.1607
Trichomonas vaginalis	conserved hypothetical protein	0.0894	0.7345	1
Loa Loa (eye worm)	tyrosyl-tRNA synthetase	0.0105	0.0699	0.0641
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0162	0.1175	0.1241
Plasmodium falciparum	BEM46-like protein, putative	0.0053	0.0254	0.0264
Trypanosoma brucei	methionyl-tRNA synthetase, putative	0.0171	0.1248	0.1629
Mycobacterium ulcerans	hypothetical protein	0.0053	0.0254	0.0264
Schistosoma mansoni	fatty-acid amide hydrolase	0.1146	0.9469	1
Plasmodium falciparum	esterase, putative	0.0053	0.0254	0.0264
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0254	0.0264
Echinococcus multilocularis	muscleblind protein	0.018	0.1331	0.1405
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0894	0.7345	1
Schistosoma mansoni	Smad4	0.0082	0.0504	0.0532
Schistosoma mansoni	leucyl-tRNA synthetase	0.0065	0.0359	0.0379
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0177	0.1306	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0254	0.0193
Echinococcus multilocularis	neuropeptide s receptor	0.0558	0.4518	0.4772
Trypanosoma cruzi	serine peptidase, putative	0.0053	0.0254	0.0264
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0032	0.0081	0.0026
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0032	0.0081	0.0085
Leishmania major	methionyl-tRNA synthetase, putative	0.0171	0.1248	0.1607
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.0053	0.0254	0.0264
Plasmodium vivax	hypothetical protein, conserved	0.0065	0.0359	0.0408
Plasmodium falciparum	lysophospholipase, putative	0.0053	0.0254	0.0264
Giardia lamblia	Leucyl-tRNA synthetase	0.0065	0.0359	0.2504
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0254	0.0264
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0162	0.1175	0.1241
Mycobacterium ulcerans	hypothetical protein	0.0894	0.7345	1
Toxoplasma gondii	hypothetical protein	0.0053	0.0254	0.1619
Plasmodium falciparum	prodrug activation and resistance esterase	0.0053	0.0254	0.0264
Mycobacterium ulcerans	hypothetical protein	0.0053	0.0254	0.0264
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0032	0.0081	0.0085
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0053	0.0254	0.0264
Echinococcus granulosus	replication factor c subunit 1	0.003	0.0062	0.0065
Toxoplasma gondii	phospholipase	0.0053	0.0254	0.1619
Plasmodium vivax	methionine--tRNA ligase, putative	0.0171	0.1248	0.1629
Schistosoma mansoni	smad1 5 8 and	0.0082	0.0504	0.0532
Leishmania major	hypothetical protein, conserved	0.0053	0.0254	0.0238
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0053	0.0254	0.0264
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.0081	0.0085
Plasmodium vivax	PST-A protein	0.0053	0.0254	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0037	0.012	0.0059
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0894	0.7345	1
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.0871	0.092
Plasmodium falciparum	esterase, putative	0.0894	0.7345	1
Brugia malayi	MH1 domain containing protein	0.0046	0.0194	0.0133
Brugia malayi	hypothetical protein	0.0032	0.0084	0.0022
Giardia lamblia	Cgi67 serine protease precursor-like protein	0.0053	0.0254	0.1619
Trypanosoma cruzi	monoglyceride lipase, putative	0.0894	0.7345	1
Toxoplasma gondii	methionyl-tRNA synthetase	0.0171	0.1248	1
Mycobacterium ulcerans	peptide amidase, GatA	0.0138	0.0975	0.1254
Mycobacterium leprae	PROBABLE AMIDASE AMIC (AMINOHYDROLASE)	0.0138	0.0975	0.1254
Chlamydia trachomatis	hydrolase	0.0053	0.0254	0.2103
Brugia malayi	MH1 domain containing protein	0.0046	0.0194	0.0133
Trypanosoma brucei	monoglyceride lipase, putative	0.0894	0.7345	1
Chlamydia trachomatis	acyltransferase family protein	0.0053	0.0254	0.2103
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0082	0.0504	0.0532
Loa Loa (eye worm)	amidase	0.0138	0.0975	0.0919
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0138	0.0975	0.103
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.0234	0.0236
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0138	0.0975	0.1231
Trypanosoma cruzi	amidase, putative	0.0138	0.0975	0.1254
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0254	0.0264
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0894	0.7345	1
Brugia malayi	Amidase family protein	0.0138	0.0975	0.0919
Brugia malayi	MGC83647 protein	0.0053	0.0254	0.0193
Trypanosoma cruzi	serine peptidase, putative	0.0053	0.0254	0.0264
Treponema pallidum	methionyl-tRNA synthetase	0.0065	0.0359	0.3254
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0032	0.0081	0.0085
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.0234	0.0236
Brugia malayi	methionyl-tRNA synthetase	0.0065	0.0359	0.0299
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0053	0.0254	0.0264
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0138	0.0975	0.103
Brugia malayi	MH2 domain containing protein	0.0037	0.012	0.0059
Plasmodium falciparum	exported lipase 2	0.0053	0.0254	0.0264
Mycobacterium ulcerans	amidase	0.0138	0.0975	0.1254

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7308 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 1.5849 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	1.9953 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.1475 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (binding)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	16.3535 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	= 29.9068 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
Plasmodium falciparum	ChEMBL23

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: CHEMBL1402792

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1291037