Detailed information for compound 764450

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 335.357 | Formula: C19H17N3O3
  • H donors: 1 H acceptors: 3 LogP: 3.42 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccccc1N=Cc1c(C)nn(c1O)c1ccccc1
  • InChi: 1S/C19H17N3O3/c1-13-16(18(23)22(21-13)14-8-4-3-5-9-14)12-20-17-11-7-6-10-15(17)19(24)25-2/h3-12,23H,1-2H3
  • InChiKey: RSVWLWCKXXWTBR-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
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0275 0.0517
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0382 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0573 0.1315
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0382 1 1
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0031 0.0403 0.0738
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0382 1 1
Schistosoma mansoni hypothetical protein 0.0175 0.4355 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0097 0.2196 1
Echinococcus granulosus geminin 0.0175 0.4355 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.021 0.5312 1
Brugia malayi hypothetical protein 0.0037 0.0573 0.1078
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0966 0.1818
Loa Loa (eye worm) hypothetical protein 0.0026 0.0275 0.0517
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0063 0.1279 0.1046
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0382 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0849 0.195
Loa Loa (eye worm) hypothetical protein 0.0026 0.026 0.049
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0097 0.2196 0.5042
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0063 0.1279 0.1046
Schistosoma mansoni dihydropteridine reductase 0.0026 0.026 0.0598
Trichomonas vaginalis hypothetical protein 0.0382 1 1
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0026 0.026 0.0598
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0849 0.195
Loa Loa (eye worm) hypothetical protein 0.0035 0.0519 0.0977
Echinococcus multilocularis musashi 0.0026 0.0275 0.0631
Loa Loa (eye worm) retinol dehydrogenase 12 0.0026 0.026 0.049
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0097 0.2196 0.1987
Echinococcus granulosus lamin 0.0026 0.0275 0.0631
Schistosoma mansoni hypothetical protein 0.0037 0.0573 0.1315
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0105 0.2431 0.2229
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0026 0.026 0.049
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0849 0.195
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.2936 0.5528
Schistosoma mansoni lamin 0.0026 0.0275 0.0631
Loa Loa (eye worm) hypothetical protein 0.021 0.5312 1
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0097 0.2196 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.0573 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0573 0.1315
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.2936 0.5528
Plasmodium falciparum enoyl-acyl carrier reductase 0.0382 1 1
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0097 0.2196 0.5042
Entamoeba histolytica hypothetical protein 0.0037 0.0573 1
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0026 0.026 0.0598
Entamoeba histolytica hypothetical protein 0.0037 0.0573 1
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0275 0.0517
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0097 0.2196 0.4134
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0382 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0275 0.0517
Onchocerca volvulus 0.0026 0.0275 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0032 0.0429 0.0869
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0849 0.1599
Schistosoma mansoni hypothetical protein 0.0035 0.0519 0.1191
Echinococcus multilocularis lamin 0.0026 0.0275 0.0631
Echinococcus multilocularis geminin 0.0175 0.4355 1
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0105 0.2431 0.2229
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0175 0.4346 0.9979
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0849 0.195
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0026 0.026 0.049
Brugia malayi MH2 domain containing protein 0.0124 0.2936 0.5528
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0849 0.195
Brugia malayi intermediate filament protein 0.0026 0.0275 0.0517
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0026 0.026 0.049
Echinococcus multilocularis lamin dm0 0.0026 0.0275 0.0631
Entamoeba histolytica hypothetical protein 0.0037 0.0573 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0849 0.195
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0105 0.2431 0.5
Echinococcus granulosus intermediate filament protein 0.0026 0.0275 0.0631
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0097 0.2196 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0105 0.2431 0.2229
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0849 0.195
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0519 0.0977
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0382 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0966 0.1818
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0097 0.2196 0.5042
Loa Loa (eye worm) hypothetical protein 0.0026 0.0262 0.0492
Schistosoma mansoni lamin 0.0026 0.0275 0.0631
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0573 0.1315
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0849 0.1599
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0026 0.026 0.0598
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0097 0.2196 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0175 0.4346 0.9979
Brugia malayi glucose-6-phosphate dehydrogenase 0.0097 0.2196 0.4134
Echinococcus granulosus lamin dm0 0.0026 0.0275 0.0631
Onchocerca volvulus 0.0026 0.0275 1
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0033 0.047 0.0215
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0097 0.2196 0.1987
Schistosoma mansoni intermediate filament proteins 0.0026 0.0275 0.0631
Schistosoma mansoni hypothetical protein 0.0175 0.4355 1
Loa Loa (eye worm) oxidoreductase 0.0026 0.026 0.049

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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