Detailed information for compound 1165798

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 359.466 | Formula: C19H29N5O2
  • H donors: 1 H acceptors: 3 LogP: -0.06 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)N1CCN(CC2(C1)CC(=O)N(C2)C)Cc1ccccn1)C
  • InChi: 1S/C19H29N5O2/c1-15(2)21-18(26)24-9-8-23(11-16-6-4-5-7-20-16)13-19(14-24)10-17(25)22(3)12-19/h4-7,15H,8-14H2,1-3H3,(H,21,26)
  • InChiKey: IXEYVGKSNJNTKK-UHFFFAOYSA-N  


Substructure search Similarity search

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
Brugia malayi hypothetical protein 0.0025 0.0577 0.1165
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Leishmania major hypothetical protein, conserved 0.0025 0.0577 0.1357
Plasmodium vivax flap endonuclease 1, putative 0.003 0.0778 0.2116
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0029 0.074 0.5
Plasmodium falciparum flap endonuclease 1 0.003 0.0778 0.2116
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0217 0.0303
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0217 0.0303
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0217 0.0217
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0083 0.2865 0.3465
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0029 0.074 0.1976
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0029 0.074 0.074
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.074 0.1976
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1933 0.269
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0577 0.1357
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0577 0.1357
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0217 0.0303
Brugia malayi hypothetical protein 0.0016 0.0236 0.0476
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0336 0.0468
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0577 0.1357
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.1175 0.2374
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1933 0.2246
Echinococcus multilocularis thioredoxin glutathione reductase 0.0084 0.2884 0.4014
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0211 0.7856 1
Schistosoma mansoni hypothetical protein 0.0018 0.0336 0.0336
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0021 0.0441 0.0892
Trypanosoma cruzi trypanothione reductase, putative 0.0083 0.2865 1
Leishmania major trypanothione reductase 0.0083 0.2865 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0336 0.0468
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1933 0.6481
Loa Loa (eye worm) hypothetical protein 0.0018 0.0336 0.068
Loa Loa (eye worm) hypothetical protein 0.0025 0.0577 0.1165
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.074 0.1976
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.074 0.1976
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0577 0.1357
Trypanosoma brucei trypanothione reductase 0.0083 0.2865 1
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0083 0.2865 1
Mycobacterium tuberculosis Probable reductase 0.019 0.7029 0.8917
Schistosoma mansoni flap endonuclease-1 0.0027 0.0666 0.0666
Treponema pallidum NADH oxidase 0.0029 0.074 0.5
Plasmodium falciparum glutathione reductase 0.0083 0.2865 1
Loa Loa (eye worm) glutathione reductase 0.0083 0.2865 0.5789
Schistosoma mansoni hypothetical protein 0.0035 0.0988 0.0988
Entamoeba histolytica hypothetical protein 0.0035 0.0988 1
Plasmodium falciparum thioredoxin reductase 0.0029 0.074 0.1976
Schistosoma mansoni hypothetical protein 0.0194 0.7185 0.7185
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.074 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0217 0.0303
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.019 0.7029 0.8917
Brugia malayi MH2 domain containing protein 0.0137 0.4948 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1933 1
Brugia malayi Flap endonuclease-1 0.003 0.0778 0.1571
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0336 0.068
Mycobacterium tuberculosis Probable oxidoreductase 0.0211 0.7856 1
Loa Loa (eye worm) flap endonuclease-1 0.003 0.0778 0.1571
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0029 0.074 0.1976
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0029 0.074 0.1976
Entamoeba histolytica hypothetical protein 0.0035 0.0988 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0029 0.074 0.1976
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0577 0.1357
Echinococcus multilocularis geminin 0.0194 0.7185 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1933 0.269
Echinococcus granulosus thioredoxin glutathione reductase 0.0084 0.2884 0.4014
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1933 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1933 0.1933
Mycobacterium tuberculosis Putative ferredoxin reductase 0.019 0.7029 0.8917
Echinococcus granulosus GPCR family 2 0.0018 0.0336 0.0468
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0336 0.0468
Echinococcus multilocularis GPCR, family 2 0.0018 0.0336 0.0468
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0336 0.068
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0046 0.0064
Toxoplasma gondii thioredoxin reductase 0.0083 0.2865 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.003 0.0778 0.2116
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0029 0.074 0.1496
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.074 0.1976
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.003 0.0778 0.2116
Schistosoma mansoni hypothetical protein 0.0018 0.0336 0.0336
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0988 0.0988
Schistosoma mansoni hypothetical protein 0.0018 0.0336 0.0336
Plasmodium vivax glutathione reductase, putative 0.0083 0.2865 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.074 0.1976
Schistosoma mansoni hypothetical protein 0.0194 0.7185 0.7185
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0046 0.0064
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1897 0.3834
Echinococcus granulosus flap endonuclease 1 0.003 0.0778 0.1082
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0029 0.074 0.1976
Trichomonas vaginalis flap endonuclease-1, putative 0.003 0.0778 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.1897 0.3834
Toxoplasma gondii NADPH-glutathione reductase 0.0029 0.074 0.1976
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.074 0.1976
Plasmodium falciparum glutathione reductase 0.0029 0.074 0.1976
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.074 0.1976
Mycobacterium tuberculosis Probable dehydrogenase 0.019 0.7029 0.8917
Loa Loa (eye worm) hypothetical protein 0.0058 0.1897 0.3834
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0211 0.7856 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1933 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0029 0.074 0.1976
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.074 0.1976
Schistosoma mansoni hypothetical protein 0.0018 0.0336 0.0336
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0217 0.0303
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1933 0.6481
Entamoeba histolytica hypothetical protein 0.0035 0.0988 1
Entamoeba histolytica hypothetical protein 0.0035 0.0988 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.074 0.5
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0029 0.074 0.1976
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0029 0.074 0.1031
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0029 0.074 0.1976
Brugia malayi isocitrate dehydrogenase 0.0015 0.0217 0.0439
Schistosoma mansoni hypothetical protein 0.0011 0.0046 0.0046
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.074 0.1976
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0336 0.068
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.074 0.1976
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.003 0.0778 0.2116
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0577 0.1357
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0217 0.0439
Loa Loa (eye worm) MH2 domain-containing protein 0.0137 0.4948 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0029 0.074 0.0685
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0217 0.0439
Schistosoma mansoni hypothetical protein 0.004 0.1175 0.1175
Giardia lamblia Flap structure-specific endonuclease 0.003 0.0778 1
Onchocerca volvulus 0.001 0 0.5
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0029 0.074 0.1976
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.074 0.1976
Loa Loa (eye worm) transcription factor SMAD2 0.0137 0.4948 1
Plasmodium falciparum thioredoxin reductase 0.0083 0.2865 1
Echinococcus granulosus geminin 0.0194 0.7185 1
Brugia malayi hypothetical protein 0.0035 0.0988 0.1997
Loa Loa (eye worm) hypothetical protein 0.004 0.1175 0.2374
Trypanosoma cruzi trypanothione reductase, putative 0.0029 0.074 0.1976
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0211 0.7856 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0988 0.1375
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.019 0.7029 0.8917
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0217 0.0303
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0577 0.1357
Loa Loa (eye worm) thioredoxin reductase 0.0083 0.2865 0.5789
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0336 0.0468
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0029 0.074 0.1976
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0029 0.074 0.1031
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.019 0.7029 0.8917
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.003 0.0778 0.2116
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1933 0.1933
Echinococcus multilocularis flap endonuclease 1 0.003 0.0778 0.1082
Brugia malayi Thioredoxin reductase 0.0083 0.2865 0.5789
Brugia malayi glutathione reductase 0.0083 0.2865 0.5789
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0021 0.0441 0.0892
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1897 0.3834
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0988 0.1375

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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