Detailed information for compound 1161402

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 343.173 | Formula: C13H15BrN2O4
  • H donors: 3 H acceptors: 4 LogP: -3.84 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@H]1C[C@](CN1Cc1ccccc1Br)(N)C(=O)O
  • InChi: 1S/C13H15BrN2O4/c14-9-4-2-1-3-8(9)6-16-7-13(15,12(19)20)5-10(16)11(17)18/h1-4,10H,5-7,15H2,(H,17,18)(H,19,20)/t10-,13-/m1/s1
  • InChiKey: FVTAMFITXMNHTF-ZWNOBZJWSA-N  

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
Trichomonas vaginalis N-myristoyl transferase, putative 0.0191 0.8769 1
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0052 0.0091 0.0091
Loa Loa (eye worm) N-myristoyltransferase 2 0.0191 0.8769 0.8769
Schistosoma mansoni N-myristoyltransferase 0.0191 0.8769 0.8757
Trypanosoma brucei poly(ADP-ribose) glycohydrolase, putative 0.0151 0.6254 0.7102
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0108 0.3569 0.351
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0191 0.8769 0.5
Brugia malayi Choline O-acetyltransferase 0.0211 1 1
Echinococcus granulosus choline O acetyltransferase 0.0211 1 1
Giardia lamblia CDC72 0.0191 0.8769 0.5
Loa Loa (eye worm) choline O-acetyltransferase 0.0211 1 1
Loa Loa (eye worm) Poly(ADP-ribose) glycohydrolase 0.0151 0.6254 0.6254
Schistosoma mansoni choline o-acyltransferase 0.0211 1 1
Trypanosoma cruzi poly(ADP-ribose) glycohydrolase, putative 0.0151 0.6254 0.7102
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.016 0.6813 0.6784
Brugia malayi TAZ zinc finger family protein 0.0108 0.3569 0.351
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.016 0.6813 0.7746
Trypanosoma brucei N-myristoyltransferase 0.0191 0.8769 1
Loa Loa (eye worm) CBP-B 0.0075 0.1514 0.1514
Schistosoma mansoni poly(ADP-ribose) glycohydrolase 0.0151 0.6254 0.6219
Loa Loa (eye worm) hypothetical protein 0.0211 1 1
Entamoeba histolytica poly(ADP-ribose) glycohydrolase, putative 0.0151 0.6254 0.6748
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.016 0.6813 0.6784
Echinococcus multilocularis CREB binding protein 0.0074 0.1455 0.1377
Trypanosoma cruzi poly(ADP-ribose) glycohydrolase, putative 0.0151 0.6254 0.7102
Echinococcus multilocularis choline O acetyltransferase 0.0211 1 1
Echinococcus granulosus CREB binding protein 0.0067 0.0991 0.0908
Brugia malayi Poly 0.0151 0.6254 0.6219
Leishmania major N-myristoyl transferase, putative 0.0191 0.8769 1
Onchocerca volvulus 0.0052 0.0091 0.5
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.016 0.6813 0.7746
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0191 0.8769 0.8757
Trypanosoma cruzi N-myristoyl transferase, putative 0.0191 0.8769 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.016 0.6813 0.7746
Echinococcus granulosus CREB binding protein 0.0108 0.3569 0.351
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0191 0.8769 0.5
Schistosoma mansoni CREB-binding protein 2 0.0108 0.3569 0.351
Brugia malayi N-myristoyltransferase 2 0.0191 0.8769 0.8757
Onchocerca volvulus 0.0052 0.0091 0.5
Echinococcus multilocularis poly(ADP ribose) glycohydrolase 0.0151 0.6254 0.6219
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0191 0.8769 1
Echinococcus granulosus polyADP ribose glycohydrolase 0.0151 0.6254 0.6219
Entamoeba histolytica hypothetical protein 0.0151 0.6254 0.6748
Onchocerca volvulus 0.0052 0.0091 0.5
Loa Loa (eye worm) hypothetical protein 0.016 0.6813 0.6813
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0191 0.8769 0.8757
Trypanosoma cruzi N-myristoyl transferase, putative 0.0191 0.8769 1
Toxoplasma gondii poly(ADP-ribose) glycohydrolase 0.0151 0.6254 1
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0052 0.0091 0.0091
Onchocerca volvulus 0.0052 0.0091 0.5
Trypanosoma brucei N-myristoyl transferase, putative 0.0191 0.8769 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.016 0.6813 0.6784

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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