Detailed information for compound 1137141

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 400.346 | Formula: C19H19F3O6
  • H donors: 4 H acceptors: 4 LogP: 2.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@H](Oc2ccc(cc2)c2cccc(c2)C(F)(F)F)[C@H]([C@H]([C@@H]1O)O)O
  • InChi: 1S/C19H19F3O6/c20-19(21,22)12-3-1-2-11(8-12)10-4-6-13(7-5-10)27-18-17(26)16(25)15(24)14(9-23)28-18/h1-8,14-18,23-26H,9H2/t14-,15-,16+,17+,18+/m1/s1
  • InChiKey: VOKDUSSLFSGJJL-ZBRFXRBCSA-N  


Substructure search Similarity search

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
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0421 0.0421
Brugia malayi RNA binding protein 0.0065 0.3163 0.4872
Schistosoma mansoni intermediate filament proteins 0.003 0.1181 0.1181
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0422 0.0422
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0157 0.8296 0.8296
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0094 0.0094
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.4852 0.4852
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0422 0.0422
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0094 0.0094
Schistosoma mansoni alkaline phosphatase 0.0157 0.8296 0.8296
Schistosoma mansoni thyroid hormone receptor 0.001 0.0094 0.0094
Echinococcus granulosus lamin 0.003 0.1181 0.1181
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0094 0.0094
Schistosoma mansoni hypothetical protein 0.0035 0.1476 0.1476
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.4852 0.4852
Schistosoma mansoni hypothetical protein 0.0082 0.4076 0.4076
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.4852 0.4852
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0422 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.0421 0.0421
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.1181 0.1725
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0421 0.0519
Treponema pallidum bacterioferrin (TpF1) 0.0009 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.6393 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0422 0.5
Schistosoma mansoni lamin 0.003 0.1181 0.1181
Schistosoma mansoni hypothetical protein 0.0188 1 1
Onchocerca volvulus 0.003 0.1181 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0422 0.5
Onchocerca volvulus 0.003 0.1181 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.4852 0.7554
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0157 0.8296 0.8296
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0421 0.0519
Loa Loa (eye worm) hypothetical protein 0.0014 0.0286 0.0306
Schistosoma mansoni lamin 0.003 0.1181 0.1181
Echinococcus granulosus intermediate filament protein 0.003 0.1181 0.1181
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0421 0.0421
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0094 0.0094
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.2385 0.3637
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3163 0.3163
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0422 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0094 0.0094
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0406 0.0495
Loa Loa (eye worm) hypothetical protein 0.0029 0.115 0.1677
Loa Loa (eye worm) hypothetical protein 0.0014 0.0317 0.0354
Echinococcus granulosus FTZ F1 alpha 0.001 0.0094 0.0094
Echinococcus multilocularis GPCR, family 2 0.0016 0.0421 0.0421
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0317 0.0317
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0094 0.0094
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.3163 0.4872
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0422 0.5
Schistosoma mansoni alkaline phosphatase 0.0157 0.8296 0.8296
Echinococcus multilocularis lamin 0.003 0.1181 0.1181
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0422 0.0521
Echinococcus granulosus alkaline phosphatase 0.0157 0.8296 0.8296
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.1476 0.2194
Echinococcus granulosus intestinal type alkaline phosphatase 0.0157 0.8296 0.8296
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0422 0.0422
Loa Loa (eye worm) hypothetical protein 0.0035 0.1476 0.2194
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0422 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0421 0.0519
Schistosoma mansoni hypothetical protein 0.0016 0.0421 0.0421
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.2385 0.3637
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0421 0.0421
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0422 0.5
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0422 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0286 0.0306
Loa Loa (eye worm) intermediate filament protein 0.003 0.1181 0.1725
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0422 0.0521
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0094 0.0094
Schistosoma mansoni hypothetical protein 0.0188 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0422 0.0422
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.2385 0.3637
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.6393 1
Loa Loa (eye worm) hypothetical protein 0.003 0.1181 0.1725
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0421 0.0421
Brugia malayi isocitrate dehydrogenase 0.0016 0.0422 0.0521
Echinococcus multilocularis lamin dm0 0.003 0.1181 0.1181
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0094 0.0094
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0094 0.0094
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0094 0.0094
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0094 0.0094
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.3163 0.4872
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0094 0.0094
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0157 0.8296 0.8296
Loa Loa (eye worm) RNA binding protein 0.0065 0.3163 0.4872
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.4852 0.4852
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0094 0.0094
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3163 0.3163
Loa Loa (eye worm) hypothetical protein 0.0051 0.2385 0.3637
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0157 0.8296 0.8296
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0421 0.0519
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3163 0.3163
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0422 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0094 0.0094
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0422 0.5
Brugia malayi MH2 domain containing protein 0.0123 0.6393 1
Echinococcus granulosus lamin dm0 0.003 0.1181 0.1181
Brugia malayi intermediate filament protein 0.003 0.1181 0.1725
Schistosoma mansoni hypothetical protein 0.0016 0.0421 0.0421
Echinococcus multilocularis alkaline phosphatase 0.0157 0.8296 0.8296
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0406 0.0495
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.4852 0.7554
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.4852 0.4852
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3163 0.3163
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0157 0.8296 0.8296
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0094 0.0094
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0422 0.0422
Schistosoma mansoni thyroid hormone receptor 0.001 0.0094 0.0094
Echinococcus multilocularis geminin 0.0188 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0094 0.0094
Brugia malayi TAR-binding protein 0.0065 0.3163 0.4872
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.4852 0.4852
Schistosoma mansoni coup transcription factor 0.001 0.0094 0.0094
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0094 0.0094
Echinococcus multilocularis musashi 0.003 0.1181 0.1181
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0094 0.0094
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0094 0.0094
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0065 0.3163 0.3163
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0094 0.0094
Echinococcus granulosus tar DNA binding protein 0.0065 0.3163 0.3163
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0094 0.0094
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0094 0.0094
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.4852 0.4852
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0094 0.0094
Trichomonas vaginalis ferritin, putative 0.0009 0 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0094 0.0094
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.1181 0.1725
Echinococcus granulosus GPCR family 2 0.0016 0.0421 0.0421
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0422 0.0422
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0094 0.0094
Schistosoma mansoni nuclear hormone receptor 0.001 0.0094 0.0094
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0094 0.0094
Schistosoma mansoni tar DNA-binding protein 0.0065 0.3163 0.3163
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0422 0.0422
Schistosoma mansoni hypothetical protein 0.0016 0.0421 0.0421
Loa Loa (eye worm) TAR-binding protein 0.0065 0.3163 0.4872
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0317 0.0317

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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