TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 297.352 | Formula: C17H19N3O2
H donors: 3 H acceptors: 2 LogP: 3.26 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CNc1ccc(cc1)C)N/N=C/c1ccc(cc1O)C
InChi: 1S/C17H19N3O2/c1-12-4-7-15(8-5-12)18-11-17(22)20-19-10-14-6-3-13(2)9-16(14)21/h3-10,18,21H,11H2,1-2H3,(H,20,22)/b19-10+
InChiKey: FMAVRARRUXNIPW-VXLYETTFSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0067	0.0616	0.5553
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0307	0.1174
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3367	1
Leishmania major	hypothetical protein, conserved	0.0039	0.0307	0.2981
Brugia malayi	beta-lactamase family protein	0.0039	0.0307	0.1174
Echinococcus granulosus	Rossmann alpha beta alpha sandwich fold	0.0011	0.0013	0.0049
Trypanosoma cruzi	ISWI complex protein	0.0015	0.0051	0.0391
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0307	0.0878
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0307	0.0295
Echinococcus multilocularis	geminin	0.0182	0.1846	0.2163
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3367	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0307	0.1174
Echinococcus granulosus	bifunctional coenzyme A synthase	0.0011	0.0013	0.0049
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.0112	0.11	0.1088
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0307	0.0295
Entamoeba histolytica	hypothetical protein	0.0071	0.065	0.1899
Leishmania major	hypothetical protein, conserved	0.0025	0.016	0.1487
Echinococcus multilocularis	nicotinamide mononucleotide adenylyltransferase	0.0011	0.0013	0.0015
Schistosoma mansoni	dephospho-CoA related kinases	0.0011	0.0013	0.0069
Trypanosoma cruzi	ISWI complex protein	0.0015	0.0051	0.0391
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0436	0.1665
Schistosoma mansoni	hypothetical protein	0.0011	0.0012	0.0066
Echinococcus granulosus	nicotinamide mononucleotide adenylyltransferase	0.0011	0.0013	0.0049
Echinococcus multilocularis	Rossmann alpha beta alpha sandwich fold	0.0011	0.0013	0.0015
Schistosoma mansoni	cpg binding protein	0.0029	0.0198	0.1075
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0307	0.0295
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.016	0.0147
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.007	0.0082
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0436	0.1665
Echinococcus granulosus	geminin	0.0182	0.1846	0.7049
Entamoeba histolytica	hypothetical protein	0.0071	0.065	0.1899
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0307	0.0295
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0198	0.0758
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0103	0.1001	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0307	0.1665
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0307	0.2981
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.016	0.1352
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0307	0.036
Loa Loa (eye worm)	hypothetical protein	0.0025	0.016	0.061
Trichomonas vaginalis	esterase, putative	0.0039	0.0307	0.0878
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3367	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0291	0.1113
Loa Loa (eye worm)	cytidylyltransferase	0.0011	0.0013	0.0049
Onchocerca volvulus	Nicotinamide mononucleotide adenylyltransferase 2 homolog	0.0011	0.0013	0.0286
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0307	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0307	0.1174
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.0103	0.1001	0.3823
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0076	0.0292
Trypanosoma brucei	ISWI complex protein	0.0015	0.0051	0.0391
Toxoplasma gondii	ABC1 family protein	0.0039	0.0307	0.271
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3367	1
Echinococcus multilocularis	bifunctional coenzyme A synthase	0.0011	0.0013	0.0015
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0307	0.1174
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0307	0.0295
Brugia malayi	Cytidylyltransferase family protein	0.0011	0.0013	0.0049
Loa Loa (eye worm)	cholinephosphate cytidylyl transferase B2	0.0011	0.0013	0.0049
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.0103	0.1001	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0436	0.2363
Schistosoma mansoni	hypothetical protein	0.0071	0.065	0.3521
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0307	0.0295
Echinococcus multilocularis	cpg binding protein	0.0032	0.0236	0.0276
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0307	0.0295
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0112	0.11	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.016	0.0147
Brugia malayi	PHD-finger family protein	0.0026	0.0169	0.0645
Schistosoma mansoni	zinc finger protein	0.0015	0.0051	0.0279
Schistosoma mansoni	transcription factor LCR-F1	0.0071	0.065	0.3521
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3367	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0307	0.0878
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0012	0.0014
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0307	0.0878
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3367	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.016	0.0147
Schistosoma mansoni	hypothetical protein	0.002	0.0107	0.0579
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0307	0.1174
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0353	0.1349
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0307	0.1174
Onchocerca volvulus		0.0029	0.0198	0.4425
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.0103	0.1001	0.1173
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0006	0.0022
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0436	0.1665
Echinococcus granulosus	cpg binding protein	0.0032	0.0236	0.09
Schistosoma mansoni	choline-phosphate cytidylyltransferase	0.0011	0.0013	0.0069
Brugia malayi	beta-lactamase family protein	0.0039	0.0307	0.1174
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0436	0.1665
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0307	0.0295
Schistosoma mansoni	cpg binding protein	0.0032	0.0236	0.1277
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0052	0.0448	0.1712
Giardia lamblia	Glucose-6-phosphate 1-dehydrogenase	0.0112	0.11	0.324
Brugia malayi	hypothetical protein	0.0016	0.0065	0.0248
Schistosoma mansoni	zinc finger protein	0.0021	0.0113	0.0614
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0307	0.2981
Echinococcus multilocularis	choline phosphate cytidylyltransferase B	0.0011	0.0013	0.0015
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0158	0.159	0.1579
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0076	0.029
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0307	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0049
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0324	0.3367	1
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0034	0.026	0.2498
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0307	0.0295
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0071	0.065	0.0762
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0436	0.2363
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0017	0.0076	0.0089
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0071	0.065	0.2482
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.016	0.1487
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.0112	0.11	0.324
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0307	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0316	0.1207
Brugia malayi	Bromodomain containing protein	0.0037	0.0291	0.111
Brugia malayi	dephospho-CoA kinase family protein	0.0011	0.0013	0.0049
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0144	0.0551
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0307	0.0295
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0436	0.2363
Schistosoma mansoni	survival motor neuron protein	0.0052	0.0448	0.2429
Brugia malayi	Chain A, Crystal Structure Of NmnNAMN ADENYLYLTRANSFERASE COMPLEXED With Nad.	0.0011	0.0013	0.0049
Schistosoma mansoni	ethanolamine-phosphate cytidylyltransferase	0.0011	0.0013	0.0069
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0436	0.0511
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0307	0.0878
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.0103	0.1001	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0307	0.1174
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0158	0.159	0.1579
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0307	0.1665
Schistosoma mansoni	hypothetical protein	0.0015	0.0051	0.0279
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0307	0.0295
Treponema pallidum	glucose-6-phosphate 1-dehydrogenase	0.0103	0.1001	0.0989
Brugia malayi	hypothetical protein	0.0254	0.2618	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0254	0.2618	0.3068
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0198	0.0758
Schistosoma mansoni	hypothetical protein	0.0052	0.0448	0.2429
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.0103	0.1001	0.5423
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0941	1	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0144	0.0781
Entamoeba histolytica	hypothetical protein	0.0071	0.065	0.1899
Loa Loa (eye worm)	hypothetical protein	0.0254	0.2618	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.016	0.1487
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.007	0.0377
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.0103	0.1001	0.5
Onchocerca volvulus		0.0052	0.0448	1
Brugia malayi	glucose-6-phosphate dehydrogenase	0.0103	0.1001	0.3823
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0247	0.2544	0.2535
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0059	0.0531	0.0622
Entamoeba histolytica	hypothetical protein	0.0071	0.065	0.1899
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0067	0.0616	0.0604
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0059	0.0531	0.2027
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0497	0.4453
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0307	0.0295
Leishmania major	hypothetical protein, conserved	0.0015	0.0051	0.0391
Schistosoma mansoni	cpg binding protein	0.0032	0.0236	0.1277
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.016	0.1487
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0805	0.8535	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0307	0.1174
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0266	0.1016
Schistosoma mansoni	nicotinamide mononucleotide adenylyltransferase	0.0011	0.0013	0.0069
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0307	0.0295
Onchocerca volvulus		0.0039	0.0307	0.6856
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0076	0.0414
Brugia malayi	ethanolamine-phosphate cytidylyltransferase	0.0011	0.0013	0.0049
Brugia malayi	Putative choline-phosphate cytidylyltransferase, putative	0.0011	0.0013	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0049
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0307	0.2981
Loa Loa (eye worm)	ethanolamine-phosphate cytidylyltransferase	0.0011	0.0013	0.0049
Schistosoma mansoni	hypothetical protein	0.0182	0.1846	1
Echinococcus multilocularis	zinc finger protein	0.0021	0.0113	0.0133
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0107	0.0408
Brugia malayi	hypothetical protein	0.0071	0.065	0.2482
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.007	0.0266
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3367	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0158	0.159	0.1579
Giardia lamblia	Fructose-bisphosphate aldolase	0.0324	0.3367	1
Echinococcus granulosus	choline phosphate cytidylyltransferase B	0.0011	0.0013	0.0049
Trypanosoma cruzi	Glucose-6-phosphate dehydrogenase, putative	0.0033	0.0249	0.239
Mycobacterium tuberculosis	Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD)	0.0036	0.0277	0.0264
Brugia malayi	Bromodomain containing protein	0.0074	0.069	0.2635
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0436	0.0511
Echinococcus granulosus	survival motor neuron protein 1	0.0254	0.2618	1
Brugia malayi	beta-lactamase	0.0039	0.0307	0.1174
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0144	0.0169
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0103	0.1001	0.0989
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0307	0.1174
Schistosoma mansoni	hypothetical protein	0.0182	0.1846	1
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.0112	0.11	0.1088
Treponema pallidum	hypothetical protein	0.0941	1	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0307	0.0295
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.007	0.0377
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0112	0.11	0.324
Echinococcus granulosus	zinc finger protein	0.0021	0.0113	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0628	0.2398
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.0542	0.2934
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0307	0.1174
Onchocerca volvulus	Nicotinamide mononucleotide adenylyltransferase 2 homolog	0.0011	0.0013	0.0286
Mycobacterium ulcerans	lipase LipD	0.0039	0.0307	0.0295
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0941	1	1
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.0103	0.1001	0.3823
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0112	0.11	0.324
Treponema pallidum	fructose-bisphosphate aldolase	0.0324	0.3367	0.3359
Echinococcus granulosus	histone lysine methyltransferase setb	0.0017	0.0076	0.0292
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0307	0.0878
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0324	0.3367	1
Onchocerca volvulus		0.0039	0.0307	0.6856
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0266	0.0312
Onchocerca volvulus		0.0039	0.0307	0.6856
Brugia malayi	hypothetical protein	0.0025	0.016	0.061
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0012	0.0047
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0076	0.0414
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0941	1	1
Schistosoma mansoni	bromodomain containing protein	0.0063	0.0568	0.3077
Wolbachia endosymbiont of Brugia malayi	phosphopantetheine adenylyltransferase	0.0011	0.0013	0.5
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0941	1	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0324	0.3367	1

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 784559