Detailed information for compound 1508416

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 441.273 | Formula: C18H21BrN2O6
  • H donors: 3 H acceptors: 5 LogP: 2.05 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCOCCN1CCN(CC1)C1=C(Br)C(=O)c2c(C1=O)c(O)ccc2O
  • InChi: 1S/C18H21BrN2O6/c19-15-16(21-5-3-20(4-6-21)7-9-27-10-8-22)18(26)14-12(24)2-1-11(23)13(14)17(15)25/h1-2,22-24H,3-10H2
  • InChiKey: UTAMCDLXCKYXOH-UHFFFAOYSA-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
Loa Loa (eye worm) hypothetical protein 0.0559 0.3035 0.2151
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1222 0.6913 1
Leishmania major cysteine desulfhydrase 0.0353 0.1831 0.2258
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0559 0.3035 0.2151
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1222 0.6913 0.7647
Trichomonas vaginalis conserved hypothetical protein 0.1624 0.9263 1
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0237 0.1152 0.2097
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0071 0.0177 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1222 0.6913 1
Entamoeba histolytica carbonic anhydrase, putative 0.1426 0.8106 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1222 0.6913 0.6521
Mycobacterium ulcerans carbonic anhydrase 0.1426 0.8106 0.8751
Toxoplasma gondii hypothetical protein 0.0559 0.3035 0.5
Plasmodium falciparum carbonic anhydrase 0.0559 0.3035 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1624 0.9263 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1222 0.6913 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0559 0.3035 0.3298
Loa Loa (eye worm) carbonic anhydrase 3 0.1222 0.6913 0.6521
Entamoeba histolytica acetyltransferase, putative 0.0071 0.0177 0.0218
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0071 0.0177 1
Schistosoma mansoni carbonic anhydrase 0.1426 0.8106 1
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0071 0.0177 0.0322
Echinococcus granulosus carbonic anhydrase 0.0559 0.3035 0.4243
Echinococcus granulosus carbonic anhydrase 0.0559 0.3035 0.4243
Mycobacterium leprae Probable transmembrane transport protein 0.0237 0.1152 0.1247
Trypanosoma brucei carbonic anhydrase-like protein 0.1222 0.6913 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0979 0.549 1
Mycobacterium ulcerans carbonic anhydrase 0.1624 0.9263 1
Onchocerca volvulus 0.0206 0.0965 1
Mycobacterium ulcerans transferase 0.0068 0.0161 0.0174
Echinococcus granulosus carbonic anhydrase 0.0559 0.3035 0.4243
Onchocerca volvulus Putative sulfate transporter 0.0206 0.0965 1
Echinococcus multilocularis carbonic anhydrase II 0.1222 0.6913 1
Loa Loa (eye worm) hypothetical protein 0.0559 0.3035 0.2151
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0559 0.3035 0.3298
Leishmania major carbonic anhydrase-like protein 0.1222 0.6913 0.8528
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0882 0.4924 0.8969
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0781 0.4333 0.7893
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1222 0.6913 0.7647
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0559 0.3035 0.3298
Entamoeba histolytica ankyrin, putative 0.0071 0.0177 0.0218
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1426 0.8106 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0559 0.3035 0.3298
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0559 0.3035 0.3298
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1222 0.6913 1
Echinococcus granulosus carbonic anhydrase II 0.1222 0.6913 1
Leishmania major carbonic anhydrase family protein, putative 0.1426 0.8106 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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