Detailed information for compound 676873

Basic information

Technical information
  • TDR Targets ID: 676873
  • Name: A2965/0124879
  • MW: 470.268 | Formula: C19H20BrNO8
  • H donors: 1 H acceptors: 4 LogP: 2.17 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)CN1C=C(C(=O)OC)C(C(=C1)C(=O)OC)c1cc(Br)c(c(c1)OC)O
  • InChi: 1S/C19H20BrNO8/c1-26-14-6-10(5-13(20)17(14)23)16-11(18(24)28-3)7-21(9-15(22)27-2)8-12(16)19(25)29-4/h5-8,16,23H,9H2,1-4H3
  • InChiKey: LTSDLUMTSPGQLZ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • ZINC01151751

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
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0582 0.9856 1
Echinococcus multilocularis aldo keto reductase 0.0582 0.9856 1
Schistosoma mansoni aldo-keto reductase 0.0582 0.9856 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0582 0.9856 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0169 0.2317 0.2351
Echinococcus granulosus aldehyde reductase 0.0413 0.6782 0.6881
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.059 1 1
Onchocerca volvulus 0.0582 0.9856 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0169 0.2317 0.2351
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0582 0.9856 1
Mycobacterium ulcerans oxidoreductase 0.0582 0.9856 0.9856
Trypanosoma cruzi aldo/keto reductase, putative 0.0169 0.2317 0.2351
Echinococcus multilocularis aldo keto reductase 0.0582 0.9856 1
Echinococcus multilocularis aldehyde reductase 0.0413 0.6782 0.6881
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0582 0.9856 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0582 0.9856 1
Mycobacterium leprae Possible oxidoreductase 0.0169 0.2317 0.2351
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0582 0.9856 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0582 0.9856 1
Brugia malayi NADH-dependent xylose reductase 0.0169 0.2317 0.2351
Loa Loa (eye worm) oxidoreductase 0.0582 0.9856 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.0042 0 0.5
Trypanosoma cruzi aldo/keto reductase, putative 0.0582 0.9856 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0582 0.9856 1
Leishmania major prostaglandin f synthase, putative 0.0582 0.9856 1
Entamoeba histolytica aldose reductase, putative 0.0582 0.9856 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0582 0.9856 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0169 0.2317 0.2351
Trichomonas vaginalis aldo-keto reductase, putative 0.0582 0.9856 1
Onchocerca volvulus 0.0582 0.9856 1
Plasmodium falciparum aldo-keto reductase, putative 0.0169 0.2317 1
Loa Loa (eye worm) oxidoreductase 0.0582 0.9856 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0582 0.9856 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0582 0.9856 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0582 0.9856 1
Leishmania major aldo-keto reductase-like protein 0.0582 0.9856 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0582 0.9856 1
Schistosoma mansoni potassium channel beta 0.0169 0.2317 0.2351
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0169 0.2317 0.2351
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0582 0.9856 1
Trypanosoma brucei prostaglandin f synthase 0.0582 0.9856 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0582 0.9856 1
Onchocerca volvulus 0.0169 0.2317 0.2351
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0169 0.2317 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0548 0.9242 0.9378
Echinococcus granulosus aldo keto reductase 0.0582 0.9856 1
Echinococcus granulosus aldo keto reductase 0.0582 0.9856 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0582 0.9856 1
Loa Loa (eye worm) oxidoreductase 0.0582 0.9856 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0582 0.9856 1
Schistosoma mansoni aldo-keto reductase 0.0582 0.9856 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0169 0.2317 0.2351
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0169 0.2317 0.2351
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0582 0.9856 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0582 0.9856 1
Echinococcus multilocularis aldo keto reductase 0.0582 0.9856 1
Trypanosoma brucei aldo-keto reductase, putative 0.0582 0.9856 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0582 0.9856 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0582 0.9856 1
Onchocerca volvulus 0.0582 0.9856 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0169 0.2317 0.2351
Trichomonas vaginalis aldo-keto reductase, putative 0.0582 0.9856 1
Echinococcus granulosus aldo keto reductase 0.0582 0.9856 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0582 0.9856 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0582 0.9856 1
Trypanosoma cruzi aldo-keto reductase 0.0582 0.9856 1
Echinococcus granulosus hypothetical protein 0.0582 0.9856 1
Entamoeba histolytica aldose reductase, putative 0.0582 0.9856 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0582 0.9856 1
Schistosoma mansoni pol-related 0.0582 0.9856 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0582 0.9856 1
Loa Loa (eye worm) oxidoreductase 0.0582 0.9856 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0582 0.9856 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0582 0.9856 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0582 0.9856 1
Onchocerca volvulus 0.0582 0.9856 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0582 0.9856 1
Echinococcus multilocularis aldo keto reductase 0.0582 0.9856 1
Onchocerca volvulus 0.0582 0.9856 1
Entamoeba histolytica aldose reductase, putative 0.0582 0.9856 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0582 0.9856 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0169 0.2317 0.2351
Trichomonas vaginalis aldo-keto reductase, putative 0.0582 0.9856 1
Giardia lamblia Aldose reductase 0.0582 0.9856 0.5
Mycobacterium ulcerans hypothetical protein 0.0169 0.2317 0.2317
Plasmodium vivax aldehyde reductase, putative 0.0169 0.2317 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0582 0.9856 1
Mycobacterium tuberculosis Conserved protein 0.0169 0.2317 0.2351
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0582 0.9856 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0582 0.9856 1
Toxoplasma gondii aldose reductase, putative 0.0582 0.9856 1
Mycobacterium leprae Conserved hypothetical protein 0.0413 0.6782 0.6881
Trichomonas vaginalis aldo-keto reductase, putative 0.0582 0.9856 1
Plasmodium falciparum aldehyde reductase, putative 0.0169 0.2317 1
Onchocerca volvulus 0.0582 0.9856 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0582 0.9856 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0582 0.9856 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0582 0.9856 1
Giardia lamblia Aldose reductase 0.0582 0.9856 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0582 0.9856 1
Loa Loa (eye worm) oxidoreductase 0.0582 0.9856 1
Toxoplasma gondii aldo-keto reductase 0.0169 0.2317 0.2351
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0582 0.9856 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0582 0.9856 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0582 0.9856 1
Loa Loa (eye worm) hypothetical protein 0.0582 0.9856 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0582 0.9856 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0582 0.9856 1

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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