Detailed information for compound 766517

Basic information

Technical information
  • TDR Targets ID: 766517
  • Name: BAS 01108318
  • MW: 372.372 | Formula: C19H20N2O6
  • H donors: 2 H acceptors: 3 LogP: 1.63 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=C(C)OC(=C(C21C(=O)Nc1c2cccc1)C(=O)OCC)N
  • InChi: 1S/C19H20N2O6/c1-4-25-16(22)13-10(3)27-15(20)14(17(23)26-5-2)19(13)11-8-6-7-9-12(11)21-18(19)24/h6-9H,4-5,20H2,1-3H3,(H,21,24)
  • InChiKey: CTELBAYGABVRDK-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • Oprea1_848398
  • EU-0017305
  • AG-205/11317126
  • Oprea1_256188
  • A0440/0020370
  • TimTec1_003954

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
Schistosoma mansoni hypothetical protein 0.017 1 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.127 0.5
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.127 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.127 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.1364 0.3902
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.1137 0.1024
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.3115 1
Brugia malayi Bromodomain containing protein 0.0038 0.1359 0.2673
Brugia malayi Inositol-1 0.0037 0.127 0.2401
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.127 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.3115 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.3495 1
Brugia malayi hypothetical protein 0.0035 0.1137 0.2
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0195 0.0559
Loa Loa (eye worm) hypothetical protein 0.0043 0.1646 0.4709
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.127 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.3115 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.1137 0.1024
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.127 0.1158
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.3115 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.127 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.127 0.1158
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.127 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0321 0.0198
Schistosoma mansoni bromodomain containing protein 0.0063 0.3005 0.2916
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.1203 0.1091
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.127 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1137 0.1024
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.3115 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.3115 0.3027
Schistosoma mansoni inositol monophosphatase 0.0037 0.127 0.1158
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.3115 0.3027
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0321 0.0198
Schistosoma mansoni hypothetical protein 0.0035 0.1137 0.1024
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.1015 0.5
Schistosoma mansoni hypothetical protein 0.0021 0.0195 0.0071
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.3115 0.3027
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0321 0.0198
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.2769 0.2677
Loa Loa (eye worm) hypothetical protein 0.0041 0.152 0.4348
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.3115 1
Brugia malayi Bromodomain containing protein 0.0075 0.3777 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.2769 0.2677
Echinococcus multilocularis geminin 0.017 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.3115 0.3027
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.1203 0.1091
Schistosoma mansoni hypothetical protein 0.017 1 1
Loa Loa (eye worm) inositol-1 0.0037 0.127 0.3632
Schistosoma mansoni inositol monophosphatase 0.0037 0.127 0.1158

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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