Detailed information for compound 1136863

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 301.337 | Formula: C17H19NO4
  • H donors: 1 H acceptors: 2 LogP: 3.81 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C/c1coc2c(c1=O)c(OCC1CCCCC1)ccc2
  • InChi: 1S/C17H19NO4/c19-17-13(9-18-20)11-22-15-8-4-7-14(16(15)17)21-10-12-5-2-1-3-6-12/h4,7-9,11-12,20H,1-3,5-6,10H2/b18-9+
  • InChiKey: BVQATJYIGOSFGR-GIJQJNRQSA-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
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.0943 0.6202
Trichomonas vaginalis glycogen phosphorylase, putative 0.0332 0.3949 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.0943 0.6202
Toxoplasma gondii thioredoxin reductase 0.0047 0.0142 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.014 0.0163
Trypanosoma brucei trypanothione reductase 0.0047 0.0142 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.109 0.2543
Chlamydia trachomatis glycogen phosphorylase 0.0332 0.3949 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0174 0.0439
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.014 0.014
Mycobacterium tuberculosis Probable reductase 0.0107 0.0943 0.6202
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0115 0.0133
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0142 0.5
Brugia malayi mbt repeat family protein 0.0047 0.014 0.0356
Schistosoma mansoni hypothetical protein 0.0365 0.4388 0.5079
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0144 0.1433 1
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.2574 0.2574
Loa Loa (eye worm) MBCTL1 0.0053 0.0227 0.0292
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0115 0.0115
Schistosoma mansoni hypothetical protein 0.0047 0.014 0.0162
Loa Loa (eye worm) hypothetical protein 0.0053 0.0227 0.0292
Plasmodium falciparum thioredoxin reductase 0.0047 0.0142 0.5
Brugia malayi hypothetical protein 0.0229 0.2574 0.652
Echinococcus granulosus microtubule associated protein 2 0.0683 0.8639 1
Echinococcus granulosus glycogen phosphorylase 0.0332 0.3949 0.4571
Schistosoma mansoni hypothetical protein 0.0365 0.4388 0.5079
Schistosoma mansoni microtubule-associated protein tau 0.0683 0.8639 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.014 0.0162
Brugia malayi glutathione reductase 0.0047 0.0142 0.0359
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0174 0.0439
Entamoeba histolytica glycogen phosphorylase, putative 0.0144 0.1433 0.3629
Echinococcus granulosus Glycosyl transferase family 35 0.0332 0.3949 0.4571
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.014 0.0067
Echinococcus granulosus glycogen phosphorylase 0.0332 0.3949 0.4571
Giardia lamblia Glycogen phosphorylase 0.0332 0.3949 0.5
Onchocerca volvulus Glycogen phosphorylase homolog 0.0332 0.3949 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0227 0.0574
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.1102 0.7435
Loa Loa (eye worm) hypothetical protein 0.0229 0.2574 0.6415
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0115 0.0115
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.0943 0.6202
Echinococcus granulosus geminin 0.0365 0.4388 0.5079
Brugia malayi carbohydrate phosphorylase 0.0332 0.3949 1
Echinococcus multilocularis microtubule associated protein 2 0.0683 0.8639 0.8639
Echinococcus multilocularis geminin 0.0365 0.4388 0.4388
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0115 0.0133
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0174 0.0153
Loa Loa (eye worm) glycogen phosphorylase 0.0332 0.3949 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0332 0.3949 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0227 0.0227
Trichomonas vaginalis glycogen phosphorylase, putative 0.0332 0.3949 0.5
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0227 0.0227
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.109 0.2543
Schistosoma mansoni hypothetical protein 0.0284 0.3308 0.383
Echinococcus multilocularis glycogen phosphorylase 0.0332 0.3949 0.3949
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.014 0.0163
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.014 0.014
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.1102 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0115 0.0291
Loa Loa (eye worm) hypothetical protein 0.0049 0.0174 0.0153
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.0943 0.6202
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0227 0.0262
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0142 0.0164
Plasmodium falciparum glutathione reductase 0.0047 0.0142 0.5
Loa Loa (eye worm) glutathione reductase 0.0047 0.0142 0.007
Schistosoma mansoni glycogen phosphorylase 0.0332 0.3949 0.4571
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0184 0.1975 0.2286
Loa Loa (eye worm) hypothetical protein 0.0047 0.014 0.0067
Echinococcus multilocularis Glycosyl transferase, family 35 0.0332 0.3949 0.3949
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.014 0.0163
Schistosoma mansoni glycogen phosphorylase 0.0144 0.1433 0.1659
Entamoeba histolytica glycogenphosphorylase, putative 0.0144 0.1433 0.3629
Entamoeba histolytica glycogen phosphorylase, putative 0.0144 0.1433 0.3629
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0227 0.0262
Entamoeba histolytica glycogen phosphorylase, putative 0.0332 0.3949 1
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.014 0.0163
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.014 0.0163
Echinococcus multilocularis glycogen phosphorylase 0.0332 0.3949 0.3949
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0142 0.5
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0144 0.1433 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.2574 0.298
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0142 0.0142
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.0943 0.6202
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0184 0.1975 0.1975
Brugia malayi Thioredoxin reductase 0.0047 0.0142 0.0359
Leishmania major trypanothione reductase 0.0047 0.0142 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0115 0.0133
Schistosoma mansoni glycogen phosphorylase 0.0332 0.3949 0.4571
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.1102 0.7435
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0227 0.0262
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.1102 0.7435
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0115 0.0133
Plasmodium vivax glutathione reductase, putative 0.0047 0.0142 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0115 0.0133
Brugia malayi MH2 domain containing protein 0.0118 0.109 0.276
Brugia malayi mbt repeat family protein 0.0047 0.014 0.0356
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0142 0.007
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.014 0.0355

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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