Detailed information for compound 2071819

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 283.314 | Formula: C15H19F2NO2
  • H donors: 0 H acceptors: 1 LogP: 2.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCN1CCC(CC1)C(=O)c1cc(F)ccc1F
  • InChi: 1S/C15H19F2NO2/c1-20-9-8-18-6-4-11(5-7-18)15(19)13-10-12(16)2-3-14(13)17/h2-3,10-11H,4-9H2,1H3
  • InChiKey: KWAVSCPMEJICMB-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
Schistosoma mansoni alpha-glucosidase 0.0148 0.4117 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0084 0.173 0.4202
Onchocerca volvulus Glucosylceramidase homolog 0.0179 0.5273 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0039 0.0048 0.5
Brugia malayi Beta-glucuronidase precursor 0.0098 0.2238 0.2548
Echinococcus granulosus beta galactosidase 0.0129 0.3408 0.6795
Echinococcus multilocularis carboxylesterase 5A 0.0096 0.2178 0.4343
Schistosoma mansoni hypothetical protein 0.0106 0.2544 0.6179
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0172 0.5015 0.5015
Echinococcus granulosus lysine specific demethylase 5A 0.0062 0.0896 0.1788
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.5273 0.6002
Brugia malayi jmjC domain containing protein 0.0062 0.0896 0.102
Echinococcus multilocularis acetylcholinesterase 0.0096 0.2178 0.4343
Brugia malayi manba-prov protein 0.0168 0.489 0.5566
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0172 0.5015 1
Trichomonas vaginalis glucosylceramidase, putative 0.0272 0.8786 1
Schistosoma mansoni alpha-glucosidase 0.0148 0.4117 1
Trichomonas vaginalis glucosylceramidase, putative 0.0272 0.8786 1
Brugia malayi jmjC domain containing protein 0.0062 0.0896 0.102
Brugia malayi Carboxylesterase family protein 0.0096 0.2178 0.2479
Schistosoma mansoni beta-mannosidase 0.0071 0.1222 0.2967
Echinococcus granulosus acetylcholinesterase 0.0096 0.2178 0.4343
Loa Loa (eye worm) carboxylesterase 0.0096 0.2178 0.2178
Loa Loa (eye worm) hypothetical protein 0.0084 0.173 0.173
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0062 0.0896 0.1788
Echinococcus multilocularis lysine specific demethylase 5A 0.0062 0.0896 0.1788
Mycobacterium ulcerans hypothetical protein 0.0114 0.2853 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0103 0.2418 0.3609
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0096 0.2178 0.529
Schistosoma mansoni beta-galactosidase 0.0129 0.3408 0.8277
Trichomonas vaginalis glucosylceramidase, putative 0.0272 0.8786 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0217 0.6701 1
Echinococcus multilocularis survival motor neuron protein 1 0.017 0.4936 0.9843
Loa Loa (eye worm) hypothetical protein 0.017 0.4936 0.4936
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0272 0.8786 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0272 0.8786 0.8786
Echinococcus granulosus survival motor neuron protein 1 0.017 0.4936 0.9843
Echinococcus multilocularis L aminoadipate semialdehyde 0.0084 0.173 0.345
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.5273 0.6002
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0084 0.173 0.1969
Echinococcus multilocularis beta mannosidase 0.0071 0.1222 0.2436
Loa Loa (eye worm) hypothetical protein 0.0129 0.3408 0.3408
Echinococcus multilocularis lysosomal alpha glucosidase 0.0172 0.5015 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0084 0.173 0.345
Echinococcus granulosus beta mannosidase 0.0071 0.1222 0.2436
Trichomonas vaginalis conserved hypothetical protein 0.0204 0.6213 0.7071
Mycobacterium tuberculosis Conserved hypothetical protein 0.0114 0.2853 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.5273 0.6002
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.5273 0.6002
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.5634 0.6412
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.0896 0.2177
Entamoeba histolytica beta-galactosidase, putative 0.0106 0.2544 1
Loa Loa (eye worm) manba-prov protein 0.0071 0.1222 0.1222
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0217 0.6701 1
Echinococcus multilocularis acetylcholinesterase 0.0096 0.2178 0.4343
Brugia malayi Carboxylesterase family protein 0.0096 0.2178 0.2479
Trichomonas vaginalis glucosylceramidase, putative 0.0188 0.5634 0.6412
Trichomonas vaginalis glycoside hydrolase, putative 0.0204 0.6213 0.7071
Loa Loa (eye worm) beta-glucuronidase 0.0098 0.2238 0.2238
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.5273 0.6002
Loa Loa (eye worm) hypothetical protein 0.0096 0.2178 0.2178
Echinococcus granulosus acetylcholinesterase 0.0096 0.2178 0.4343
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0896 0.0896
Schistosoma mansoni jumonji domain containing protein 0.0062 0.0896 0.2177
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0103 0.2418 0.3609
Loa Loa (eye worm) hypothetical protein 0.0096 0.2178 0.2178
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0106 0.2544 0.2896
Echinococcus multilocularis beta galactosidase 0.0129 0.3408 0.6795
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0062 0.0896 0.1788
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0048 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0062 0.0896 0.2177
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0106 0.2544 0.2544
Loa Loa (eye worm) hypothetical protein 0.0129 0.3408 0.3408
Trichomonas vaginalis beta-galactosidase, putative 0.0204 0.6213 0.7071
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0217 0.6701 1
Trichomonas vaginalis glucosylceramidase, putative 0.0272 0.8786 1
Onchocerca volvulus 0.0099 0.2297 0.1601
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0103 0.2418 0.3609
Trichomonas vaginalis beta-mannosidase, putative 0.0071 0.1222 0.139
Trichomonas vaginalis glucosylceramidase, putative 0.0272 0.8786 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0172 0.5015 0.5708
Leishmania major mitochondrial DNA polymerase beta 0.0217 0.6701 1
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.5273 0.6002
Brugia malayi hypothetical protein 0.017 0.4936 0.5618
Trichomonas vaginalis glucosylceramidase, putative 0.0272 0.8786 1
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.5273 0.6002
Echinococcus granulosus carboxylesterase 5A 0.0096 0.2178 0.4343
Loa Loa (eye worm) acetylcholinesterase 1 0.0096 0.2178 0.2178
Echinococcus multilocularis lysosomal alpha glucosidase 0.0172 0.5015 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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