TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 385.5 | Formula: C22H31N3O3
H donors: 1 H acceptors: 3 LogP: 3.08 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC1CCCCN1C(=O)c1cn(cc(c1=O)C(=O)NC1CC1)C1CCCCC1
InChi: 1S/C22H31N3O3/c1-15-7-5-6-12-25(15)22(28)19-14-24(17-8-3-2-4-9-17)13-18(20(19)26)21(27)23-16-10-11-16/h13-17H,2-12H2,1H3,(H,23,27)
InChiKey: MEWTUAJHSVHWTI-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

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
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.0308	0.0279
Trypanosoma brucei	glucosidase, putative	0.0149	0.1199	0.2049
Trichomonas vaginalis	glucosylceramidase, putative	0.0356	0.3683	0.6007
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0409	0.4328	0.4297
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0122	0.0122
Schistosoma mansoni	ceramide glucosyltransferase	0.0751	0.8438	0.9227
Schistosoma mansoni	metabotropic glutamate receptor	0.0278	0.2755	0.2972
Trichomonas vaginalis	alpha-glucosidase, putative	0.0078	0.034	0.0453
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0301	0.3028	0.299
Loa Loa (eye worm)	glutaminase 2	0.0555	0.6086	0.6086
Loa Loa (eye worm)	glutamate receptor	0.0131	0.0979	0.0979
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0281	0.279	0.5842
Trichomonas vaginalis	chromobox protein, putative	0.0139	0.1073	0.1671
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0187	0.1658	0.1612
Entamoeba histolytica	glycogen debranching enzyme, putative	0.0136	0.1041	0.2862
Trichomonas vaginalis	glucosylceramidase, putative	0.0542	0.5925	0.9732
Trypanosoma cruzi	polo-like protein kinase, putative	0.0281	0.279	0.5842
Schistosoma mansoni	hypothetical protein	0.0098	0.0587	0.0586
Schistosoma mansoni	hypothetical protein	0.0175	0.1509	0.16
Onchocerca volvulus		0.0187	0.1658	0.1912
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0281	0.279	0.2751
Echinococcus granulosus	expressed protein	0.0768	0.8646	0.8638
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.0541	0.0489
Echinococcus granulosus	non lysosomal glucosylceramidase	0.0437	0.466	0.4631
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0085	0.043	0.043
Trichomonas vaginalis	glucosylceramidase, putative	0.0356	0.3683	0.6007
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0136	0.1041	0.1618
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0149	0.1199	0.1199
Brugia malayi	glutathione reductase	0.0142	0.1116	0.1067
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0078	0.034	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0295	0.2952	0.2952
Schistosoma mansoni	alpha-glucosidase	0.0809	0.9141	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0324	0.3306	0.8342
Trypanosoma brucei	trypanothione reductase	0.0142	0.1116	0.1849
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0149	0.1199	0.1151
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.0541	0.0489
Loa Loa (eye worm)	ceramide glucosyltransferase	0.0751	0.8438	0.8438
Leishmania major	trypanothione reductase	0.0142	0.1116	0.1849
Trichomonas vaginalis	glucosylceramidase, putative	0.0375	0.3913	0.639
Trichomonas vaginalis	conserved hypothetical protein	0.007	0.0245	0.0295
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0078	0.034	0.0341
Trichomonas vaginalis	CAMK family protein kinase	0.0139	0.1081	0.1684
Echinococcus granulosus	bile acid beta glucosidase	0.0437	0.466	0.4631
Trypanosoma brucei	polo-like protein kinase	0.0281	0.279	0.5842
Trypanosoma cruzi	hypothetical protein, conserved	0.0426	0.4534	1
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0281	0.279	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0542	0.5925	0.9732
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0278	0.2755	0.2715
Trichomonas vaginalis	alpha-glucosidase, putative	0.0149	0.1199	0.1881
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0187	0.1658	0.1612
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0187	0.1658	0.1612
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0361	0.3742	1
Loa Loa (eye worm)	ShTK domain-containing protein	0.0187	0.1658	0.1658
Trichomonas vaginalis	CAMK family protein kinase	0.0281	0.279	0.4524
Schistosoma mansoni	ceramide glucosyltransferase	0.0751	0.8438	0.9227
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0324	0.3306	0.8342
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.034	0.0453
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0281	0.279	0.3263
Loa Loa (eye worm)	glutamate receptor	0.0332	0.3404	0.3404
Onchocerca volvulus		0.0187	0.1658	0.1912
Trichomonas vaginalis	CAMK family protein kinase	0.0139	0.1081	0.1684
Trypanosoma cruzi	hypothetical protein, conserved	0.0426	0.4534	1
Toxoplasma gondii	thioredoxin reductase	0.0142	0.1116	0.4695
Loa Loa (eye worm)	glutathione reductase	0.0142	0.1116	0.1116
Trichomonas vaginalis	CAMK family protein kinase	0.0281	0.279	0.4524
Trichomonas vaginalis	glucosylceramidase, putative	0.0542	0.5925	0.9732
Echinococcus multilocularis	bile acid beta glucosidase	0.0437	0.466	0.4631
Loa Loa (eye worm)	ShTK domain-containing protein	0.0187	0.1658	0.1658
Trypanosoma cruzi	trypanothione reductase, putative	0.0142	0.1116	0.1849
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0881	1	1
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0411	0.0571
Schistosoma mansoni	bile acid beta-glucosidase-related	0.0437	0.466	0.5068
Loa Loa (eye worm)	hypothetical protein	0.0187	0.1658	0.1658
Loa Loa (eye worm)	hypothetical protein	0.0085	0.043	0.043
Mycobacterium tuberculosis	Probable oxidoreductase	0.0361	0.3742	1
Onchocerca volvulus		0.0187	0.1658	0.1912
Loa Loa (eye worm)	hypothetical protein	0.0078	0.034	0.034
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0136	0.1041	0.1618
Trichomonas vaginalis	alpha-glucosidase, putative	0.0149	0.1199	0.1881
Plasmodium vivax	glutathione reductase, putative	0.0142	0.1116	0.5
Leishmania major	hypothetical protein, conserved	0.0426	0.4534	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0881	1	1
Brugia malayi	jmjC domain containing protein	0.0094	0.0541	0.0489
Onchocerca volvulus	Glucosylceramidase homolog	0.0356	0.3683	0.4328
Echinococcus multilocularis	chromobox protein 1	0.0139	0.1073	0.1024
Brugia malayi	glutaminase DH11.1	0.0555	0.6086	0.6065
Brugia malayi	Ceramide glucosyltransferase	0.0751	0.8438	0.843
Echinococcus multilocularis	non lysosomal glucosylceramidase	0.0437	0.466	0.4631
Brugia malayi	Heterochromatin protein 1	0.0139	0.1073	0.1024
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0078	0.034	0.0453
Schistosoma mansoni	chromobox protein	0.0139	0.1073	0.1121
Schistosoma mansoni	alpha glucosidase	0.0149	0.1199	0.126
Giardia lamblia	Kinase, PLK	0.0281	0.279	0.7113
Loa Loa (eye worm)	heterochromatin protein 1	0.0139	0.1073	0.1073
Loa Loa (eye worm)	thioredoxin reductase	0.0142	0.1116	0.1116
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0078	0.034	0.0287
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0542	0.5925	0.5903
Brugia malayi	chromobox protein homolog 3	0.0078	0.034	0.0287
Loa Loa (eye worm)	glutaminase	0.0555	0.6086	0.6086
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0332	0.3404	0.3368
Mycobacterium tuberculosis	Probable reductase	0.0324	0.3306	0.8342
Schistosoma mansoni	serine/threonine protein kinase	0.0281	0.279	0.3011
Trichomonas vaginalis	alpha-glucosidase, putative	0.0078	0.034	0.0453
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0281	0.279	0.2751
Plasmodium falciparum	thioredoxin reductase	0.0142	0.1116	0.5
Echinococcus multilocularis	chromobox protein 1	0.0139	0.1073	0.1024
Echinococcus granulosus	thioredoxin glutathione reductase	0.0142	0.1116	0.1067
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0149	0.1199	0.1881
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0149	0.1199	0.1881
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0324	0.3306	0.8342
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0149	0.1199	0.1151
Echinococcus granulosus	chromobox protein 1	0.0139	0.1073	0.1024
Schistosoma mansoni	metabotropic glutamate receptor	0.0162	0.1354	0.1431
Giardia lamblia	Ceramide glucosyltransferase	0.034	0.35	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0149	0.1199	0.2049
Trichomonas vaginalis	CAMK family protein kinase	0.0281	0.279	0.4524
Trichomonas vaginalis	alpha-glucosidase, putative	0.0078	0.034	0.0453
Brugia malayi	ShTK domain containing protein	0.0187	0.1658	0.1612
Loa Loa (eye worm)	hypothetical protein	0.0409	0.4328	0.4328
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0881	1	1
Schistosoma mansoni	tyrosinase precursor	0.0187	0.1658	0.1764
Onchocerca volvulus		0.0061	0.0138	0.01
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0149	0.1199	0.1881
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0361	0.3742	1
Schistosoma mansoni	alpha-glucosidase	0.0809	0.9141	1
Echinococcus granulosus	glycogen debranching enzyme	0.0136	0.1041	0.0992
Brugia malayi	serine/threonine-protein kinase plk-2	0.0281	0.279	0.2751
Echinococcus granulosus	chromobox protein 1	0.0139	0.1073	0.1024
Trichomonas vaginalis	alpha-glucosidase, putative	0.0078	0.034	0.0453
Trichomonas vaginalis	glucosylceramidase, putative	0.0542	0.5925	0.9732
Trichomonas vaginalis	glucosylceramidase, putative	0.0356	0.3683	0.6007
Echinococcus granulosus	lysosomal alpha glucosidase	0.0881	1	1
Plasmodium falciparum	glutathione reductase	0.0142	0.1116	0.5
Loa Loa (eye worm)	tyrosinase 1	0.0187	0.1658	0.1658
Trichomonas vaginalis	glucosylceramidase, putative	0.0542	0.5925	0.9732
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0542	0.5925	0.5925
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0409	0.4328	0.4297
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0149	0.1199	0.1881
Mycobacterium ulcerans	glutaminase	0.0555	0.6086	0.5
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0142	0.1116	0.1067
Loa Loa (eye worm)	amylo-alpha-1,6-glucosidase	0.0066	0.0202	0.0202
Trichomonas vaginalis	CAMK family protein kinase	0.0281	0.279	0.4524
Trichomonas vaginalis	glucosylceramidase, putative	0.0375	0.3913	0.639
Trichomonas vaginalis	CAMK family protein kinase	0.0281	0.279	0.4524
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0281	0.279	0.279
Trichomonas vaginalis	glutaminase, putative	0.0555	0.6086	1
Brugia malayi	Common central domain of tyrosinase family protein	0.0187	0.1658	0.1612
Trichomonas vaginalis	glucosylceramidase, putative	0.0356	0.3683	0.6007
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0078	0.034	0.0453
Trypanosoma brucei	hypothetical protein, conserved	0.0426	0.4534	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0054	0.0054
Plasmodium vivax	thioredoxin reductase, putative	0.0142	0.1116	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0356	0.3683	0.6007
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0149	0.1199	1
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.034	0.0453
Schistosoma mansoni	kinase	0.0143	0.1126	0.1179
Trichomonas vaginalis	alpha-glucosidase, putative	0.0149	0.1199	0.1881
Brugia malayi	metabotropic glutamate receptor type 2	0.0162	0.1354	0.1307
Trichomonas vaginalis	glucosylceramidase, putative	0.0356	0.3683	0.6007
Echinococcus granulosus	ceramide glucosyltransferase	0.0751	0.8438	0.843
Schistosoma mansoni	bile acid beta-glucosidase-related	0.0437	0.466	0.5068
Loa Loa (eye worm)	hypothetical protein	0.0187	0.1658	0.1658
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0078	0.034	0.0341
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0084	0.0411	0.0426
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0324	0.3306	0.8342
Schistosoma mansoni	chromobox protein	0.0139	0.1073	0.1121
Trypanosoma cruzi	hypothetical protein, conserved	0.0149	0.1199	0.2049
Onchocerca volvulus		0.0544	0.5947	0.7029
Echinococcus multilocularis	expressed protein	0.0768	0.8646	0.8638
Schistosoma mansoni	tyrosinase precursor	0.0187	0.1658	0.1764
Loa Loa (eye worm)	hypothetical protein	0.0078	0.034	0.034
Trichomonas vaginalis	alpha-glucosidase, putative	0.0078	0.034	0.0453
Onchocerca volvulus	Ceramide glucosyltransferase homolog	0.0751	0.8438	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0149	0.1199	0.1881
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0378	0.3952	0.429
Trichomonas vaginalis	chromobox protein, putative	0.0139	0.1073	0.1671
Trichomonas vaginalis	glucosylceramidase, putative	0.0356	0.3683	0.6007
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0324	0.3306	0.8342
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0187	0.1658	0.1612
Brugia malayi	Thioredoxin reductase	0.0142	0.1116	0.1067
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0085	0.043	0.043
Brugia malayi	Amylo-alpha-1,6-glucosidase family protein	0.0136	0.1041	0.0992
Loa Loa (eye worm)	hypothetical protein	0.0136	0.1041	0.1041
Trichomonas vaginalis	CAMK family protein kinase	0.0281	0.279	0.4524
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0278	0.2755	0.2715
Trichomonas vaginalis	alpha-glucosidase, putative	0.0149	0.1199	0.1881
Trichomonas vaginalis	CAMK family protein kinase	0.0281	0.279	0.4524
Onchocerca volvulus		0.0187	0.1658	0.1912
Echinococcus multilocularis	ceramide glucosyltransferase	0.0751	0.8438	0.843
Echinococcus granulosus	neutral alpha glucosidase AB	0.0149	0.1199	0.1151
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0149	0.1199	0.3507
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0411	0.0571
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0361	0.3742	1
Leishmania major	alpha glucosidase II subunit, putative	0.0149	0.1199	0.2049
Schistosoma mansoni	glutaminase	0.0555	0.6086	0.6638
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0138	0.0138
Trichomonas vaginalis	glucosylceramidase, putative	0.0542	0.5925	0.9732
Brugia malayi	Receptor family ligand binding region containing protein	0.0085	0.043	0.0378
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0149	0.1199	0.3507
Echinococcus multilocularis	glycogen debranching enzyme	0.0136	0.1041	0.0992
Trypanosoma cruzi	polo-like protein kinase, putative	0.0281	0.279	0.5842

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 808779