Detailed information for compound 1174388

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 296.344 | Formula: C17H18N3O2+
  • H donors: 1 H acceptors: 1 LogP: 2.82 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C/c1n(C)cc[n+]1COCc1cccc2c1cccc2
  • InChi: 1S/C17H17N3O2/c1-19-9-10-20(17(19)11-18-21)13-22-12-15-7-4-6-14-5-2-3-8-16(14)15/h2-11H,12-13H2,1H3/p+1
  • InChiKey: HMFWEHZULGHDQI-UHFFFAOYSA-O  


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
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0111 0.2581 0.2377
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0036 0.0269 0.1158
Trypanosoma cruzi cruzipain precursor, putative 0.0069 0.1299 0.5597
Brugia malayi jmjC domain containing protein 0.0064 0.1133 0.1133
Leishmania major glycosyl hydrolase-like protein 0.0029 0.0075 0.0236
Toxoplasma gondii aldehyde dehydrogenase 0.013 0.3171 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0354 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.026 0.7143 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1581 1
Brugia malayi hypothetical protein 0.0133 0.3248 0.3248
Toxoplasma gondii NADPH-glutathione reductase 0.0036 0.0269 0.0847
Schistosoma mansoni aldehyde dehydrogenase 0.013 0.3171 0.3251
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1299 0.5597
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0064 0.1133 0.0889
Brugia malayi Melibiase family protein 0.0074 0.1448 0.1448
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.1299 0.5597
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0036 0.0269 0.0847
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.1133 0.1133
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0074 0.1448 0.1322
Loa Loa (eye worm) hypothetical protein 0.0074 0.1448 0.1448
Loa Loa (eye worm) hypothetical protein 0.0267 0.735 0.735
Loa Loa (eye worm) hypothetical protein 0.0164 0.4198 0.4198
Echinococcus granulosus neutral alpha glucosidase AB 0.0078 0.1581 0.1349
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0036 0.0269 0.1158
Trichomonas vaginalis glutathione reductase, putative 0.0036 0.0269 0.1287
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0269 0.1158
Trypanosoma brucei glucosidase, putative 0.0078 0.1581 0.6814
Loa Loa (eye worm) hypothetical protein 0.0133 0.3248 0.3248
Giardia lamblia NADH oxidase lateral transfer candidate 0.0036 0.0269 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.1581 0.6814
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1299 0.5597
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0036 0.0269 0.0847
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.013 0.3171 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1299 0.5597
Plasmodium falciparum thioredoxin reductase 0.0036 0.0269 0.1158
Echinococcus multilocularis geminin 0.0184 0.4807 0.4664
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0269 0.1158
Loa Loa (eye worm) glutathione reductase 0.0103 0.2321 0.2321
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0269 0.1158
Loa Loa (eye worm) thioredoxin reductase 0.0103 0.2321 0.2321
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1299 0.5597
Leishmania major cathepsin L-like protease 0.0069 0.1299 0.4096
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.013 0.3171 0.2982
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0269 0.1158
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0269 0.1158
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0269 0.1158
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0111 0.2581 0.2591
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0078 0.1581 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0029 0.0075 0.0322
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0267 0.735 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.013 0.3171 0.2982
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0036 0.0269 0.1158
Leishmania major alpha glucosidase II subunit, putative 0.0078 0.1581 0.4987
Onchocerca volvulus Huntingtin homolog 0.0133 0.3248 0.5917
Mycobacterium ulcerans aldehyde dehydrogenase 0.013 0.3171 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.1133 0.0969
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0269 0.0847
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0269 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0103 0.2321 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1299 0.5597
Trichomonas vaginalis sucrase-isomaltase, putative 0.0078 0.1581 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0078 0.1581 0.4987
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0269 0.1158
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0063 0.1115 0.4805
Trypanosoma brucei trypanothione reductase 0.0103 0.2321 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0064 0.1133 0.0889
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1299 0.5597
Echinococcus multilocularis thioredoxin glutathione reductase 0.0103 0.2321 0.2109
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0078 0.1581 0.2071
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1581 1
Mycobacterium tuberculosis Probable reductase 0.0234 0.6343 0.8837
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0078 0.1581 0.1581
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1299 0.5597
Toxoplasma gondii thioredoxin reductase 0.0103 0.2321 0.7319
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.6343 0.8837
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0111 0.2581 0.2377
Schistosoma mansoni aldehyde dehydrogenase 0.013 0.3171 0.3251
Echinococcus multilocularis lysosomal alpha glucosidase 0.0354 1 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0078 0.1581 1
Onchocerca volvulus 0.0164 0.4198 0.7688
Loa Loa (eye worm) hypothetical protein 0.0133 0.3248 0.3248
Schistosoma mansoni alpha-glucosidase 0.0304 0.8493 0.9214
Leishmania major trypanothione reductase 0.0103 0.2321 0.7319
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0036 0.0269 0.1158
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.0269 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0269 0.1158
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0111 0.2581 0.2591
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.1133 0.0969
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0074 0.1448 0.1322
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0111 0.2581 0.2377
Trypanosoma cruzi trypanothione reductase, putative 0.0103 0.2321 1
Plasmodium falciparum glutathione reductase 0.0103 0.2321 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1581 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1299 0.5597
Trypanosoma brucei glycosyl hydrolase-like protein 0.0029 0.0075 0.0322
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0036 0.0269 0.1158
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0269 0.1158
Onchocerca volvulus Huntingtin homolog 0.0133 0.3248 0.5917
Brugia malayi Glycosyl hydrolases family 31 protein 0.0029 0.0075 0.0075
Leishmania major cathepsin L-like protease 0.0069 0.1299 0.4096
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0078 0.1581 0.2071
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.026 0.7143 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0103 0.2321 0.2109
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.1299 0.5597
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.6343 0.8837
Echinococcus multilocularis neutral alpha glucosidase AB 0.0078 0.1581 0.1349
Trypanosoma cruzi cysteine peptidase, putative 0.0069 0.1299 0.5597
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1581 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.0269 0.0269
Brugia malayi Glycosyl hydrolases family 31 protein 0.0078 0.1581 0.1581
Onchocerca volvulus 0.0205 0.5438 1
Schistosoma mansoni hypothetical protein 0.0184 0.4807 0.5084
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1299 0.5597
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0269 0.0847
Loa Loa (eye worm) hypothetical protein 0.0029 0.0075 0.0075
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.6343 0.8837
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0078 0.1581 1
Plasmodium falciparum glutathione reductase 0.0036 0.0269 0.1158
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0267 0.735 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0078 0.1581 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0036 0.0269 0.0847
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0111 0.2581 0.2591
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0269 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0103 0.2321 0.2985
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.6343 0.8837
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.026 0.7143 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0054 0.0845 0.3643
Echinococcus multilocularis lysosomal alpha glucosidase 0.0354 1 1
Schistosoma mansoni hypothetical protein 0.0184 0.4807 0.5084
Brugia malayi hypothetical protein 0.0164 0.4198 0.4198
Echinococcus granulosus lysine specific demethylase 5A 0.0064 0.1133 0.0889
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0064 0.1133 0.0889
Leishmania major cathepsin L-like protease 0.0069 0.1299 0.4096
Toxoplasma gondii melibiase subfamily protein 0.0111 0.2581 0.8141
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.013 0.3171 0.4222
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0074 0.1448 0.9118
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0111 0.2581 0.2591
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.6343 0.8837
Brugia malayi jmjC domain containing protein 0.0064 0.1133 0.1133
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.026 0.7143 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.013 0.3171 1
Brugia malayi glutathione reductase 0.0103 0.2321 0.2321
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0269 0.1158
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1299 0.5597
Plasmodium falciparum thioredoxin reductase 0.0103 0.2321 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0269 0.1158
Echinococcus granulosus geminin 0.0184 0.4807 0.4664
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0029 0.0075 0.0322
Mycobacterium ulcerans aldehyde dehydrogenase 0.013 0.3171 1
Schistosoma mansoni alpha-glucosidase 0.0304 0.8493 0.9214
Plasmodium vivax glutathione reductase, putative 0.0103 0.2321 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0069 0.1299 0.5597
Treponema pallidum NADH oxidase 0.0036 0.0269 0.5
Schistosoma mansoni jumonji domain containing protein 0.0064 0.1133 0.0969
Echinococcus granulosus lysosomal alpha glucosidase 0.0354 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.1581 0.6814
Schistosoma mansoni alpha glucosidase 0.0078 0.1581 0.1471
Trichomonas vaginalis mercuric reductase, putative 0.0036 0.0269 0.1287
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0036 0.0269 0.1158
Brugia malayi Thioredoxin reductase 0.0103 0.2321 0.2321

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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