TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 352.43 | Formula: C20H24N4O2
H donors: 1 H acceptors: 3 LogP: 2.2 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCCCC1C(=O)NCC1Cc2c(O1)c(ccc2)c1ncccn1
InChi: 1S/C20H24N4O2/c1-24-11-3-2-8-17(24)20(25)23-13-15-12-14-6-4-7-16(18(14)26-15)19-21-9-5-10-22-19/h4-7,9-10,15,17H,2-3,8,11-13H2,1H3,(H,23,25)
InChiKey: AGMPCIOJPZKMNA-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
Leishmania major	cytosolic malate dehydrogenase	0.0354	0.415	0.415
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0094	0.067	0.067
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	0.0789	1	0.5
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.067	0.1615
Echinococcus granulosus	lactate dehydrogenase a	0.0789	1	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0218	0.0218
Leishmania major	malate dehydrogenase, putative	0.0789	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0253	0.0253
Echinococcus granulosus	malate dehydrogenase	0.0347	0.406	0.406
Echinococcus granulosus	lactate dehydrogenase a	0.0789	1	1
Trypanosoma cruzi	cytochrome P450, putative	0.0072	0.0369	0.089
Toxoplasma gondii	lactate dehydrogenase LDH1	0.0789	1	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0354	0.415	1
Echinococcus multilocularis	malate dehydrogenase	0.0347	0.406	0.406
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0218	0.0524
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0354	0.415	1
Schistosoma mansoni	L-lactate dehydrogenase	0.0329	0.3818	0.3818
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.067	0.1615
Entamoeba histolytica	malate dehydrogenase, putative	0.0789	1	1
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0354	0.415	0.415
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.067	0.1553
Loa Loa (eye worm)	malate dehydrogenase	0.0347	0.406	0.406
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0354	0.415	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0185	0.1887	0.4505
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0354	0.415	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0086	0.0561	0.1351
Trypanosoma cruzi	mitochondrial malate dehydrogenase, putative	0.0347	0.406	0.9781
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0086	0.0561	0.1351
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0218	0.0524
Leishmania major	mitochondrial malate dehydrogenase	0.0347	0.406	0.406
Trichomonas vaginalis	malate dehydrogenase, putative	0.0354	0.415	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.0218	0.0218
Plasmodium falciparum	malate dehydrogenase	0.0789	1	1
Loa Loa (eye worm)	hypothetical protein	0.0789	1	1
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0253	0.0253
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.0218	0.0218
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0086	0.0561	0.1351
Trypanosoma brucei	glycosomal malate dehydrogenase	0.0347	0.406	0.9781
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0253	0.0253
Trypanosoma cruzi	cytochrome P450, putative	0.0072	0.0369	0.089
Leishmania major	malate dehydrogenase, putative	0.0329	0.3818	0.3818
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0086	0.0561	0.1351
Leishmania major	malate dehydrogenase	0.0347	0.406	0.406
Echinococcus multilocularis	lactate dehydrogenase a	0.0789	1	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0094	0.067	0.067
Loa Loa (eye worm)	cytochrome P450 family protein	0.0104	0.0805	0.0805
Toxoplasma gondii	malate dehydrogenase MDH	0.0789	1	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0354	0.415	1
Leishmania major	cytochrome p450-like protein	0.0072	0.0369	0.0369
Trichomonas vaginalis	malate dehydrogenase, putative	0.0354	0.415	1
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.067	0.067
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0347	0.406	0.9781
Mycobacterium tuberculosis	Probable oxidoreductase	0.0096	0.069	0.1662
Brugia malayi	Cytochrome P450 family protein	0.0104	0.0805	0.0805
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0347	0.406	0.9781
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.067	0.1553
Chlamydia trachomatis	malate dehydrogenase	0.0354	0.415	0.5
Trichomonas vaginalis	malate dehydrogenase, putative	0.0354	0.415	1
Echinococcus granulosus	L lactate dehydrogenase B chain	0.0789	1	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.0218	0.0524
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0253	0.0253
Trypanosoma cruzi	malate dehydrogenase, putative	0.0347	0.406	0.9781
Echinococcus multilocularis	L lactate dehydrogenase	0.046	0.5585	0.5585
Toxoplasma gondii	lactate dehydrogenase LDH2	0.0789	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0253	0.0253
Entamoeba histolytica	malate dehydrogenase, putative	0.0354	0.415	0.373
Loa Loa (eye worm)	CYP4Cod1	0.0072	0.0369	0.0369
Echinococcus multilocularis	lactate dehydrogenase protein	0.0789	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.067	0.1553
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0072	0.0369	0.089
Trichomonas vaginalis	malate dehydrogenase, putative	0.0354	0.415	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0354	0.415	1
Brugia malayi	Cytochrome P450 family protein	0.0072	0.0369	0.0369
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0354	0.415	1
Trypanosoma brucei	polo-like protein kinase	0.0094	0.067	0.1615
Trichomonas vaginalis	malate dehydrogenase, putative	0.0354	0.415	1
Schistosoma mansoni	kinase	0.0048	0.0047	0.0047
Mycobacterium ulcerans	malate dehydrogenase	0.0354	0.415	1
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0253	0.0253
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.0789	1	1
Mycobacterium tuberculosis	Probable reductase	0.0086	0.0561	0.1351
Schistosoma mansoni	malate dehydrogenase	0.0789	1	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.0218	0.0218
Echinococcus granulosus	lactate dehydrogenase protein	0.0789	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.0218	0.0218
Trypanosoma brucei	malate dehydrogenase-related	0.0329	0.3818	0.9198
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.0218	0.0524
Plasmodium falciparum	L-lactate dehydrogenase	0.0789	1	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0096	0.069	0.1662
Schistosoma mansoni	L-lactate dehydrogenase	0.0789	1	1
Echinococcus granulosus	L lactate dehydrogenase	0.046	0.5585	0.5585
Plasmodium vivax	lactate dehydrogenase	0.0789	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0253	0.0253
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0354	0.415	0.415
Loa Loa (eye worm)	malate dehydrogenase	0.0354	0.415	0.415
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0086	0.0561	0.1351
Brugia malayi	Malate dehydrogenase, cytoplasmic	0.0354	0.415	0.415
Trichomonas vaginalis	malate dehydrogenase, putative	0.016	0.1554	0.3697
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0096	0.069	0.1662
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.0218	0.0218
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0096	0.069	0.1662
Loa Loa (eye worm)	cytochrome P450 family protein	0.0072	0.0369	0.0369
Echinococcus multilocularis	lactate dehydrogenase a	0.0789	1	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0354	0.415	1
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.067	0.1553
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0253	0.0253
Echinococcus multilocularis	malate dehydrogenase	0.0347	0.406	0.406
Mycobacterium tuberculosis	Probable malate dehydrogenase Mdh	0.0354	0.415	1
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0354	0.415	0.415
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0354	0.415	0.415
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.067	0.1553
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0253	0.0253
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0094	0.067	0.067
Trypanosoma cruzi	malate dehydrogenase, putative	0.0329	0.3818	0.9198
Trypanosoma brucei	mitochondrial malate dehydrogenase	0.0347	0.406	0.9781
Leishmania major	glycosomal malate dehydrogenase	0.0347	0.406	0.406
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0354	0.415	1
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.067	0.1553
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.067	0.1553
Trichomonas vaginalis	malate dehydrogenase, putative	0.0329	0.3818	0.9192
Entamoeba histolytica	malate dehydrogenase,cytoplasmic, putative	0.0354	0.415	0.373
Brugia malayi	serine/threonine-protein kinase plk-2	0.0094	0.067	0.067
Brugia malayi	TAR-binding protein	0.0063	0.0253	0.0253
Brugia malayi	Cytochrome P450 family protein	0.0072	0.0369	0.0369
Schistosoma mansoni	malate dehydrogenase	0.0354	0.415	0.415
Schistosoma mansoni	malate dehydrogenase	0.0347	0.406	0.406
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0253	0.0253
Schistosoma mansoni	malate dehydrogenase	0.0354	0.415	0.415
Trypanosoma brucei	cytosolic malate dehydrogenase	0.0354	0.415	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0072	0.0369	0.0369
Mycobacterium leprae	PROBABLE MALATE DEHYDROGENASE MDH	0.0354	0.415	1
Brugia malayi	RNA binding protein	0.0063	0.0253	0.0253
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0253	0.0253
Giardia lamblia	Malate dehydrogenase	0.0354	0.415	1
Plasmodium vivax	malate dehydrogenase, putative	0.0789	1	1
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0094	0.067	0.067
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0354	0.415	1
Brugia malayi	Probable malate dehydrogenase, mitochondrial precursor	0.0347	0.406	0.406
Echinococcus granulosus	malate dehydrogenase	0.0347	0.406	0.406
Trichomonas vaginalis	malate dehydrogenase, putative	0.0354	0.415	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0086	0.0561	0.1351
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0094	0.067	0.5
Trichomonas vaginalis	malate dehydrogenase, putative	0.0354	0.415	1
Echinococcus multilocularis	lactate dehydrogenase a	0.0789	1	1
Trypanosoma brucei	cytochrome P450, putative	0.0072	0.0369	0.089

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 810206