Detailed information for compound 1470940

Basic information

Technical information
  • TDR Targets ID: 1470940
  • Name: Oprea1_766076
  • MW: 302.388 | Formula: C18H24NO3+
  • H donors: 0 H acceptors: 1 LogP: 3.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1oc2c(c1C)cccc2)OCC[N+]1(C)CCCCC1
  • InChi: 1S/C18H24NO3/c1-14-15-8-4-5-9-16(15)22-17(14)18(20)21-13-12-19(2)10-6-3-7-11-19/h4-5,8-9H,3,6-7,10-13H2,1-2H3/q+1
  • InChiKey: GIQRIQNVYGEUHE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • STOCK1S-69716
  • Oprea1_304275
  • 1-Methyl-1-[2-(3-methyl-benzofuran-2-carbonyloxy)-ethyl]-piperidinium
  • BAS 02592489
  • ZINC02589846

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 granulosus exocyst complex component 2 0.0122 0.0184 0.0184
Schistosoma mansoni hypothetical protein 0.028 0.1557 0.3138
Brugia malayi Protein kinase domain containing protein 0.0147 0.0402 0.0372
Echinococcus granulosus roundabout 2 0.0108 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.028 0.1557 0.251
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0147 0.0402 0.0666
Brugia malayi Plexin repeat family protein 0.0669 0.4961 0.8169
Loa Loa (eye worm) sema domain-containing protein 0.028 0.1557 0.251
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.0184 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0122 0.0184 0.5
Echinococcus multilocularis exocyst complex component 2 0.0122 0.0184 0.0305
Echinococcus multilocularis epidermal growth factor receptor 0.0218 0.1019 0.1689
Loa Loa (eye worm) TK/EGFR protein kinase 0.0368 0.2329 0.3803
Schistosoma mansoni tyrosine kinase 0.0147 0.0402 0.0809
Wolbachia endosymbiont of Brugia malayi (3R)-hydroxymyristoyl-ACP dehydratase 0.0235 0.1171 0.5
Echinococcus multilocularis roundabout 2 0.0108 0.0058 0.0096
Echinococcus granulosus transcription factor collier 0.0122 0.0184 0.0184
Schistosoma mansoni tyrosine kinase 0.0218 0.1019 0.2053
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0122 0.0184 0.5
Brugia malayi Furin-like cysteine rich region family protein 0.0368 0.2329 0.3669
Schistosoma mansoni tyrosine kinase 0.0172 0.062 0.1249
Brugia malayi plexin A 0.0791 0.6032 1
Loa Loa (eye worm) hypothetical protein 0.0669 0.4961 0.8208
Loa Loa (eye worm) plexin A 0.0791 0.6032 1
Echinococcus granulosus plexin a4 0.0791 0.6032 0.6032
Loa Loa (eye worm) hypothetical protein 0.028 0.1557 0.251
Schistosoma mansoni tyrosine kinase 0.0218 0.1019 0.2053
Echinococcus granulosus semaphorin 1A 0.028 0.1557 0.1557
Echinococcus multilocularis insulin receptor 0.0147 0.0402 0.0666
Loa Loa (eye worm) TK/KIN16 protein kinase 0.044 0.2958 0.4855
Onchocerca volvulus Tyrosine kinase homolog 0.0359 0.2255 0.2049
Echinococcus multilocularis epidermal growth factor receptor 0.0368 0.2329 0.3862
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0122 0.0184 0.5
Brugia malayi hypothetical protein 0.028 0.1557 0.2348
Schistosoma mansoni hypothetical protein 0.028 0.1557 0.3138
Schistosoma mansoni tyrosine kinase 0.0147 0.0402 0.0809
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0896 0.695 1
Schistosoma mansoni hypothetical protein 0.0122 0.0184 0.0371
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.0184 0.5
Onchocerca volvulus 0.0669 0.4961 1
Loa Loa (eye worm) hypothetical protein 0.028 0.1557 0.251
Echinococcus multilocularis plexin a4 0.0791 0.6032 1
Echinococcus multilocularis semaphorin 5B 0.028 0.1557 0.2581
Entamoeba histolytica tyrosin kinase, putative 0.0168 0.0583 1
Schistosoma mansoni plexin 0.0389 0.2518 0.5075
Loa Loa (eye worm) hypothetical protein 0.028 0.1557 0.251
Brugia malayi Sema domain containing protein 0.028 0.1557 0.2348
Schistosoma mansoni plexin 0.0669 0.4961 1
Echinococcus multilocularis transcription factor collier 0.0122 0.0184 0.0305
Loa Loa (eye worm) hypothetical protein 0.028 0.1557 0.251
Loa Loa (eye worm) hypothetical protein 0.0122 0.0184 0.0212
Loa Loa (eye worm) hypothetical protein 0.0122 0.0184 0.0212
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0122 0.0184 0.5
Chlamydia trachomatis 3-hydroxyacyl-ACP dehydratase 0.0235 0.1171 0.5
Loa Loa (eye worm) TK/INSR protein kinase 0.0147 0.0402 0.0576
Echinococcus granulosus insulin receptor 0.0147 0.0402 0.0402
Echinococcus granulosus epidermal growth factor receptor 0.0218 0.1019 0.1019
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.0184 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.044 0.2958 0.4743
Loa Loa (eye worm) hypothetical protein 0.028 0.1557 0.251
Plasmodium falciparum beta-hydroxyacyl-ACP dehydratase 0.0235 0.1171 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0368 0.2329 0.2329
Schistosoma mansoni tyrosine kinase 0.0172 0.062 0.1249
Schistosoma mansoni tyrosine kinase 0.0172 0.062 0.1249
Schistosoma mansoni tyrosine kinase 0.0368 0.2329 0.4695
Loa Loa (eye worm) sema domain-containing protein 0.028 0.1557 0.251
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0147 0.0402 0.0402
Loa Loa (eye worm) hypothetical protein 0.0122 0.0184 0.0212
Schistosoma mansoni fibrocystin l 0.0122 0.0184 0.0371
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.0184 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0122 0.0184 0.5
Plasmodium vivax beta-hydroxyacyl-ACP dehydratase precursor, putative 0.0235 0.1171 0.5
Echinococcus multilocularis hypothetical protein 0.028 0.1557 0.2581
Schistosoma mansoni hypothetical protein 0.0389 0.2518 0.5075
Schistosoma mansoni semaphorin 5-related 0.028 0.1557 0.3138
Entamoeba histolytica protein kinase domain containing protein 0.0168 0.0583 1
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.0184 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.0184 0.5
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0218 0.1019 0.1019
Brugia malayi hypothetical protein 0.028 0.1557 0.2348
Echinococcus granulosus semaphorin 5B 0.028 0.1557 0.1557
Loa Loa (eye worm) hypothetical protein 0.0122 0.0184 0.0212
Brugia malayi Sema domain containing protein 0.028 0.1557 0.2348
Loa Loa (eye worm) hypothetical protein 0.0389 0.2518 0.4118
Trichomonas vaginalis conserved hypothetical protein 0.0122 0.0184 0.5
Onchocerca volvulus 0.03 0.1736 0.0525
Schistosoma mansoni hypothetical protein 0.0122 0.0184 0.0371

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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