Detailed information for compound 921462

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 242.316 | Formula: C15H18N2O
  • H donors: 0 H acceptors: 2 LogP: 3.27 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cnn(c1)C(=O)CCCCc1ccccc1
  • InChi: 1S/C15H18N2O/c1-13-11-16-17(12-13)15(18)10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3
  • InChiKey: NZYCAXIVSRJNKK-UHFFFAOYSA-N  

Network

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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

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0558 0.0505
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0147 0.0272
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0558 0.1505
Loa Loa (eye worm) hypothetical protein 0.0031 0.0558 0.1019
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0194 0.4427 1
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.1365 0.1317
Trichomonas vaginalis glutathione reductase, putative 0.0047 0.0934 0.173
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.0934 0.1884
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.1365 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0558 0.0505
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0047 0.0934 0.1884
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0047 0.0934 0.0883
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0086 0.003
Trichomonas vaginalis CAMK family protein kinase 0.0194 0.4427 0.8201
Schistosoma mansoni hypothetical protein 0.0167 0.3791 0.3756
Mycobacterium tuberculosis Probable dehydrogenase 0.0307 0.7096 0.8958
Brugia malayi Thioredoxin reductase 0.0134 0.3015 0.6314
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0123 0.0228
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0558 0.1089
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0012 0.0123 0.0086
Trichomonas vaginalis CAMK family protein kinase 0.0194 0.4427 0.8201
Trichomonas vaginalis set domain proteins, putative 0.0235 0.5398 1
Echinococcus multilocularis cpg binding protein 0.0062 0.1307 0.2814
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0341 0.7907 1
Brugia malayi Pre-SET motif family protein 0.0031 0.0558 0.1019
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0012 0.0123 0.0081
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.1365 0.2948
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0147 0.0272
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0012 0.0123 0.0086
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0012 0.0123 0.0086
Plasmodium falciparum glutathione reductase 0.0047 0.0934 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.0934 0.1884
Schistosoma mansoni kinase 0.0099 0.2166 0.2122
Trypanosoma cruzi polo-like protein kinase, putative 0.0194 0.4427 1
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0012 0.0123 0.0086
Echinococcus multilocularis glutamate synthase 0.0012 0.0123 0.0086
Schistosoma mansoni glutamate synthase 0.0012 0.0123 0.0067
Schistosoma mansoni glutamate synthase 0.0012 0.0123 0.0067
Leishmania major trypanothione reductase 0.0134 0.3015 0.6721
Brugia malayi glutamate synthase 0.0012 0.0123 0.0081
Loa Loa (eye worm) thioredoxin reductase 0.0134 0.3015 0.6314
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0012 0.0123 0.0228
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0126 0.282 0.2779
Schistosoma mansoni cpg binding protein 0.0059 0.1228 0.1178
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0307 0.7096 0.8958
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0047 0.0934 0.2803
Echinococcus granulosus mixed lineage leukemia protein mll 0.0016 0.0203 0.027
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0012 0.0123 0.0081
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0012 0.0123 0.0081
Brugia malayi Pre-SET motif family protein 0.0207 0.4726 1
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0147 0.0272
Onchocerca volvulus Serine\/threonine kinase homolog 0.0194 0.4427 0.8172
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0307 0.7096 0.8958
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0047 0.0934 1
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0012 0.0123 0.0081
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0012 0.0123 0.0228
Onchocerca volvulus 0.0059 0.1228 0.215
Trichomonas vaginalis CAMK family protein kinase 0.0194 0.4427 0.8201
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0123 0.0228
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0147 0.0272
Trichomonas vaginalis CAMK family protein kinase 0.0194 0.4427 0.8201
Giardia lamblia Kinase, PLK 0.0194 0.4427 1
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0012 0.0123 0.0228
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0147 0.0272
Onchocerca volvulus 0.0012 0.0123 0.007
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0123 0.0228
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0012 0.0123 0.0086
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0047 0.0934 0.6526
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0047 0.0934 0.1884
Giardia lamblia NADH oxidase lateral transfer candidate 0.0047 0.0934 0.1884
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0086 0.003
Trypanosoma cruzi polo-like protein kinase, putative 0.0194 0.4427 1
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0123 0.0228
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0502 0.096
Trypanosoma brucei polo-like protein kinase 0.0194 0.4427 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0147 0.0272
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0012 0.0123 0.0086
Echinococcus granulosus thioredoxin glutathione reductase 0.0135 0.3027 0.6776
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0558 0.1089
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0047 0.0934 0.1884
Schistosoma mansoni hypothetical protein 0.0167 0.3791 0.3756
Brugia malayi serine/threonine-protein kinase plk-2 0.0194 0.4427 0.9355
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0341 0.7907 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0047 0.0934 1
Onchocerca volvulus 0.0031 0.0558 0.089
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0086 0.003
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.0934 0.1884
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0203 0.027
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0034 0.0641 0.1197
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0019 0.0288 0.0466
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0047 0.0934 0.1884
Loa Loa (eye worm) glutathione reductase 0.0134 0.3015 0.6314
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0123 0.0228
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0194 0.4427 1
Echinococcus granulosus glutamate synthase 0.0012 0.0123 0.0086
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0047 0.0934 0.1884
Schistosoma mansoni serine/threonine protein kinase 0.0194 0.4427 0.4395
Schistosoma mansoni sulfide quinone reductase 0.0012 0.0123 0.0067
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0047 0.0934 0.1042
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0012 0.0123 0.0086
Echinococcus granulosus cpg binding protein 0.0062 0.1307 0.2814
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0047 0.0934 0.2803
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.1365 1
Schistosoma mansoni cpg binding protein 0.0062 0.1307 0.1258
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0086 0.003
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.1365 0.1596
Loa Loa (eye worm) histone methyltransferase 0.0019 0.0288 0.0436
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0016 0.0203 0.0148
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0019 0.0288 0.0466
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0012 0.0123 0.0086
Trichomonas vaginalis mercuric reductase, putative 0.0047 0.0934 0.173
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0147 0.0272
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0012 0.0123 0.0228
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0934 0.1884
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0086 0.003
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0086 0.003
Plasmodium vivax glutathione reductase, putative 0.0134 0.3015 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0034 0.0641 0.1197
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0147 0.0272
Brugia malayi glutathione reductase 0.0134 0.3015 0.6314
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0194 0.4427 1
Trichomonas vaginalis CAMK family protein kinase 0.0194 0.4427 0.8201
Loa Loa (eye worm) programmed cell death 8 0.0012 0.0123 0.0081
Loa Loa (eye worm) CXXC zinc finger family protein 0.0059 0.1228 0.2461
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0307 0.7096 0.8958
Schistosoma mansoni glutamate synthase 0.0012 0.0123 0.0067
Schistosoma mansoni cpg binding protein 0.0062 0.1307 0.1258
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0086 0.003
Echinococcus multilocularis geminin 0.0167 0.3791 0.8536
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.1365 0.1317
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0147 0.0272
Onchocerca volvulus 0.0235 0.5398 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0012 0.0123 0.0228
Brugia malayi F/Y-rich N-terminus family protein 0.0019 0.0283 0.0424
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0047 0.0934 0.2803
Trichomonas vaginalis CAMK family protein kinase 0.0194 0.4427 0.8201
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0558 0.1089
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0047 0.0934 0.6526
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0012 0.0123 0.0086
Plasmodium falciparum thioredoxin reductase 0.0134 0.3015 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0047 0.0934 0.1954
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0086 0.003
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0147 0.0272
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0086 0.003
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2106 0.3901
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0341 0.7907 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0194 0.4427 0.9355
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0307 0.7096 0.8958
Toxoplasma gondii histone lysine methyltransferase SET1 0.0113 0.2503 0.823
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0047 0.0934 0.6526
Treponema pallidum NADH oxidase 0.0047 0.0934 1
Trichomonas vaginalis CAMK family protein kinase 0.0194 0.4427 0.8201
Loa Loa (eye worm) hypothetical protein 0.0012 0.0123 0.0081
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0086 0.003
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0203 0.027
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0047 0.0934 0.1884
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.4726 1
Schistosoma mansoni disulfide oxidoreductase 0.0012 0.0123 0.0067
Trichomonas vaginalis glutamate synthase, putative 0.0012 0.0123 0.0228
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0086 0.003
Trichomonas vaginalis helicase, putative 0.0013 0.0147 0.0272
Plasmodium vivax thioredoxin reductase, putative 0.0134 0.3015 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.1365 0.2948
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0147 0.0272
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0047 0.0934 0.1884
Schistosoma mansoni hypothetical protein 0.0012 0.0123 0.0067
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.1365 1
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0012 0.0123 0.0086
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0047 0.0934 1
Plasmodium falciparum thioredoxin reductase 0.0047 0.0934 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.0934 0.1884
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0016 0.0203 0.027
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0147 0.0272
Schistosoma mansoni coup transcription factor 0.0011 0.0086 0.003
Toxoplasma gondii NADPH-glutathione reductase 0.0047 0.0934 0.2803
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0012 0.0123 0.0086
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0558 0.0505
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.2106 0.3901
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0012 0.0123 0.0086
Trichomonas vaginalis apoptosis inducing factor, putative 0.0012 0.0123 0.0228
Trypanosoma cruzi trypanothione reductase, putative 0.0134 0.3015 0.6721
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0047 0.0934 0.2803
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0047 0.0934 0.2803
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0147 0.0272
Echinococcus granulosus geminin 0.0167 0.3791 0.8536
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0047 0.0934 0.1884
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.0934 0.1884
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0147 0.0272
Echinococcus multilocularis thioredoxin glutathione reductase 0.0135 0.3027 0.6776
Plasmodium vivax SET domain protein, putative 0.0031 0.0558 0.1505
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0047 0.0934 0.1954
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0307 0.7096 0.8958
Mycobacterium tuberculosis Probable oxidoreductase 0.0341 0.7907 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0134 0.3015 0.3716
Trypanosoma brucei trypanothione reductase 0.0134 0.3015 0.6721
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.1365 0.4295
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0047 0.0934 0.1828
Toxoplasma gondii thioredoxin reductase 0.0134 0.3015 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.1365 0.2887
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0047 0.0934 0.1884
Brugia malayi CXXC zinc finger family protein 0.0059 0.1228 0.2461
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0047 0.0934 0.1884
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0147 0.0272
Trichomonas vaginalis glutamate synthase, putative 0.0012 0.0123 0.0228
Schistosoma mansoni sulfide quinone reductase 0.0012 0.0123 0.0067
Plasmodium falciparum glutathione reductase 0.0134 0.3015 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0086 0.003
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0147 0.0272
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0147 0.0272
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0558 0.0505
Entamoeba histolytica serine/threonine protein kinase, putative 0.0194 0.4427 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0047 0.0934 0.1884
Mycobacterium tuberculosis Probable reductase 0.0307 0.7096 0.8958

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

Bibliographic References

No literature references available for this target.

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