Detailed information for compound 1463245

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 382.37 | Formula: C19H18N4O5
  • H donors: 0 H acceptors: 4 LogP: 2.08 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)CO/N=C/1\C(COc2c1cccc2)n1cncc1.[O-][N+](=O)O
  • InChi: 1S/C19H17N3O2.HNO3/c1-2-6-15(7-3-1)12-24-21-19-16-8-4-5-9-18(16)23-13-17(19)22-11-10-20-14-22;2-1(3)4/h1-11,14,17H,12-13H2;(H,2,3,4)/b21-19-;
  • InChiKey: MKEIZNKRZSVGPU-WQGAEACMSA-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
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.0213 0.2223
Schistosoma mansoni hypothetical protein 0.0464 0.0906 0.3411
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.008 0.0115 0.048
Treponema pallidum replicative DNA helicase (dnaB) 0.1289 0.2609 0.5
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.008 0.0115 0.0241
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.006 0.062
Mycobacterium ulcerans short chain dehydrogenase 0.0092 0.014 0.0099
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0464 0.0906 0.0857
Loa Loa (eye worm) oxidoreductase 0.008 0.0115 0.1203
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0092 0.014 0.0583
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0464 0.0906 0.0857
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.008 0.0115 0.0241
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase 0.1289 0.2609 1
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0464 0.0906 0.3411
Leishmania major dehydrogenase/oxidoreductase-like protein 0.008 0.0115 0.8242
Echinococcus granulosus dual specificity protein phosphatase 0.0489 0.096 0.0911
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0128 0.0214 0.0397
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.008 0.0115 0.8242
Leishmania major trypanothione reductase 0.0051 0.0054 0.3847
Chlamydia trachomatis replicative DNA helicase 0.1289 0.2609 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.0188 0.0524
Schistosoma mansoni Replicative DNA helicase 0.1289 0.2609 1
Leishmania major oxidoreductase-like protein 0.0092 0.014 1
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.1289 0.2609 1
Loa Loa (eye worm) retinol dehydrogenase 12 0.008 0.0115 0.1203
Trypanosoma brucei trypanothione reductase 0.0051 0.0054 0.3847
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.0188 0.0524
Plasmodium vivax glutathione reductase, putative 0.0051 0.0054 0.0224
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.1188 0.2402 0.9171
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.1188 0.2402 0.9171
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.1188 0.2402 0.9171
Brugia malayi Thioredoxin reductase 0.0051 0.0054 0.0561
Schistosoma mansoni hypothetical protein 0.0464 0.0906 0.3411
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.0188 0.0524
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.1188 0.2402 0.9191
Loa Loa (eye worm) hypothetical protein 0.0053 0.006 0.062
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.006 0.062
Giardia lamblia Dual specificity phosphatase, catalytic 0.0489 0.096 0.5
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB 0.1289 0.2609 1
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.008 0.0115 0.0351
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.0188 0.0524
Schistosoma mansoni apoptosis regulator bax 0.0464 0.0906 0.3411
Mycobacterium tuberculosis Possible oxidoreductase 0.008 0.0115 0.0241
Brugia malayi glutathione reductase 0.0051 0.0054 0.0561
Loa Loa (eye worm) hypothetical protein 0.008 0.0115 0.1203
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0116 0.0188 0.029
Mycobacterium tuberculosis Probable oxidoreductase 0.0128 0.0214 0.0629
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.008 0.0115 0.1203
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.008 0.0115 0.048
Echinococcus granulosus microtubule associated protein 2 0.0673 0.1338 0.1291
Schistosoma mansoni hypothetical protein 0.0165 0.029 0.1028
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.0213 0.2223
Leishmania major 3-oxoacyl-ACP reductase, putative 0.008 0.0115 0.8242
Schistosoma mansoni hypothetical protein 0.0464 0.0906 0.3411
Plasmodium vivax enoyl-acyl carrier protein reductase 0.1188 0.2402 1
Trypanosoma brucei pteridine reductase 1 0.008 0.0115 0.8242
Schistosoma mansoni microtubule-associated protein tau 0.0673 0.1338 0.5081
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.0054 0.0224
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.008 0.0115 0.048
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0025 0.0257
Leishmania major pteridine reductase 1 0.0092 0.014 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0128 0.0214 0.0629
Brugia malayi Dual specificity phosphatase, catalytic domain containing protein 0.0489 0.096 1
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.1188 0.2402 0.9171
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.008 0.0115 0.0062
Loa Loa (eye worm) glutathione reductase 0.0051 0.0054 0.0561
Brugia malayi MH2 domain containing protein 0.0128 0.0213 0.2223
Echinococcus multilocularis microtubule associated protein 2 0.0673 0.1338 0.1291
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0092 0.014 0.0099
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.487 1 1
Toxoplasma gondii thioredoxin reductase 0.0051 0.0054 0.0224
Loa Loa (eye worm) twinkle helicase 0.0368 0.0709 0.7391
Schistosoma mansoni hypothetical protein 0.0165 0.029 0.1028
Mycobacterium tuberculosis Probable oxidoreductase 0.0092 0.014 0.0337
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.008 0.0115 0.0241
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.0188 0.0524
Echinococcus multilocularis geminin 0.0165 0.029 0.0238
Onchocerca volvulus 0.0489 0.096 1
Loa Loa (eye worm) dual specificity phosphatase 0.0489 0.096 1
Schistosoma mansoni dual specificity protein phosphatase 0.0489 0.096 0.3618
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.008 0.0115 0.8242
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.0054 0.0561
Mycobacterium ulcerans replicative DNA helicase DnaB 0.1289 0.2609 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.008 0.0115 0.0241
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.1188 0.2402 1
Trypanosoma brucei oxidoreductase-like protein 0.0092 0.014 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0092 0.014 0.0099
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0092 0.014 0.0099
Onchocerca volvulus 0.0092 0.014 0.0291
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.008 0.0115 0.1203
Echinococcus granulosus geminin 0.0165 0.029 0.0238
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.008 0.0115 0.8242
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.008 0.0115 0.5
Loa Loa (eye worm) apoptosis regulator protein 0.0464 0.0906 0.9444
Plasmodium falciparum glutathione reductase 0.0051 0.0054 0.0224
Schistosoma mansoni dihydropteridine reductase 0.008 0.0115 0.0351
Plasmodium falciparum enoyl-acyl carrier reductase 0.1188 0.2402 1
Echinococcus multilocularis dual specificity protein phosphatase 0.0489 0.096 0.0911
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.006 0.062
Plasmodium falciparum thioredoxin reductase 0.0051 0.0054 0.0224
Leishmania major dehydrogenase/oxidoreductase-like protein 0.008 0.0115 0.8242
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.008 0.0115 0.0241
Mycobacterium tuberculosis Possible oxidoreductase 0.008 0.0115 0.0241
Trichomonas vaginalis hypothetical protein 0.1188 0.2402 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0092 0.014 1
Loa Loa (eye worm) hypothetical protein 0.0464 0.0906 0.9444
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.0054 0.3847
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0464 0.0906 0.9444
Loa Loa (eye worm) hypothetical protein 0.0037 0.0025 0.0257
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.008 0.0115 0.0241
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0128 0.0214 0.0629
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.008 0.0115 0.048
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.008 0.0115 0.0062
Mycobacterium tuberculosis Probable reductase 0.0116 0.0188 0.0524
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.008 0.0115 0.1203

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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