Detailed information for compound 909217

Basic information

Technical information
  • TDR Targets ID: 909217
  • Name: 4-[[4-[(Z)-[1-(2-fluorophenyl)-2,4,6-trioxo-1 ,3-diazinan-5-ylidene]methyl]-2-methoxyphenox y]methyl]benzoic acid
  • MW: 490.437 | Formula: C26H19FN2O7
  • H donors: 2 H acceptors: 5 LogP: 3.77 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OCc1ccc(cc1)C(=O)O)C=C1C(=O)NC(=O)N(C1=O)c1ccccc1F
  • InChi: 1S/C26H19FN2O7/c1-35-22-13-16(8-11-21(22)36-14-15-6-9-17(10-7-15)25(32)33)12-18-23(30)28-26(34)29(24(18)31)20-5-3-2-4-19(20)27/h2-13H,14H2,1H3,(H,32,33)(H,28,30,34)/b18-12-
  • InChiKey: JHSJZGQFAWCBIN-PDGQHHTCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[4-[(Z)-[1-(2-fluorophenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid
  • 4-[[4-[(Z)-[1-(2-fluorophenyl)-2,4,6-trioxo-5-hexahydropyrimidinylidene]methyl]-2-methoxyphenoxy]methyl]benzoic acid
  • 4-[[4-[(Z)-[1-(2-fluorophenyl)-2,4,6-triketo-hexahydropyrimidin-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid
  • 4-[[4-[(Z)-[1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzoic acid
  • STOCK2S-44933
  • BIM-0007194.P001

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) latrophilin receptor protein 2 0.0252 0.2351 0.2288
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0041 0.0081 0.0081
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.011 0.082 0.4277
Onchocerca volvulus 0.0041 0.0081 0.5
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0041 0.0081 0.0081
Schistosoma mansoni hypothetical protein 0.0545 0.5502 0.5465
Loa Loa (eye worm) MH2 domain-containing protein 0.0358 0.3486 0.3433
Onchocerca volvulus 0.0041 0.0081 0.5
Loa Loa (eye worm) glutaminase 2 0.027 0.2538 0.2477
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.02 0.0972
Echinococcus granulosus tar DNA binding protein 0.0313 0.3009 0.2952
Brugia malayi RNA binding protein 0.0313 0.3009 0.3009
Trypanosoma brucei hypothetical protein, conserved 0.021 0.1894 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0313 0.3009 0.2952
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.011 0.082 0.4277
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0962 1 1
Schistosoma mansoni tar DNA-binding protein 0.0313 0.3009 0.2952
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0797 0.8217 0.8217
Brugia malayi latrophilin 2 splice variant baaae 0.0545 0.5502 0.5502
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0962 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.011 0.082 0.0745
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0252 0.2351 0.2288
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0962 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.011 0.082 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0179 0.0099
Brugia malayi hypothetical protein 0.0041 0.0081 0.0081
Echinococcus multilocularis GPCR, family 2 0.0252 0.2351 0.2288
Leishmania major hypothetical protein, conserved 0.021 0.1894 1
Loa Loa (eye worm) TAR-binding protein 0.0313 0.3009 0.2952
Trypanosoma cruzi DNA polymerase eta, putative 0.005 0.0179 0.086
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0252 0.2351 0.2288
Loa Loa (eye worm) hypothetical protein 0.0545 0.5502 0.5465
Loa Loa (eye worm) transcription factor SMAD2 0.0358 0.3486 0.3433
Schistosoma mansoni hypothetical protein 0.0252 0.2351 0.2288
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.011 0.082 0.0745
Toxoplasma gondii isocitrate dehydrogenase 0.011 0.082 1
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0041 0.0081 0.0081
Onchocerca volvulus 0.0041 0.0081 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.011 0.082 0.0745
Brugia malayi Isocitrate dehydrogenase 0.011 0.082 0.082
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.011 0.082 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.011 0.082 0.3739
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0962 1 1
Loa Loa (eye worm) hypothetical protein 0.0797 0.8217 0.8202
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0962 1 1
Brugia malayi MH2 domain containing protein 0.0358 0.3486 0.3486
Trichomonas vaginalis glutaminase, putative 0.027 0.2538 1
Schistosoma mansoni glutaminase 0.027 0.2538 0.2477
Schistosoma mansoni hypothetical protein 0.0252 0.2351 0.2288
Brugia malayi Calcitonin receptor-like protein seb-1 0.0797 0.8217 0.8217
Schistosoma mansoni tar DNA-binding protein 0.0313 0.3009 0.2952
Leishmania major hypothetical protein, conserved 0.0052 0.02 0.0972
Schistosoma mansoni tar DNA-binding protein 0.0313 0.3009 0.2952
Trypanosoma cruzi hypothetical protein, conserved 0.021 0.1894 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.011 0.082 0.0745
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.02 0.0123
Echinococcus multilocularis isocitrate dehydrogenase 0.011 0.082 0.0745
Brugia malayi hypothetical protein 0.0052 0.02 0.02
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0252 0.2351 0.2351
Brugia malayi TAR-binding protein 0.0313 0.3009 0.3009
Entamoeba histolytica G protein alpha subunit, putative 0.0041 0.0081 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0962 1 1
Echinococcus multilocularis tar DNA binding protein 0.0313 0.3009 0.2952
Brugia malayi Latrophilin receptor protein 2 0.0252 0.2351 0.2351
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.011 0.082 0.4277
Loa Loa (eye worm) isocitrate dehydrogenase 0.011 0.082 0.0745
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.011 0.082 1
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0041 0.0081 0.0081
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.02 0.2273
Leishmania major DNA polymerase eta, putative 0.005 0.0179 0.086
Loa Loa (eye worm) hypothetical protein 0.0252 0.2351 0.2288
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.011 0.082 0.3739
Toxoplasma gondii isocitrate dehydrogenase 0.011 0.082 1
Echinococcus granulosus dna polymerase eta 0.005 0.0179 0.0099
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0041 0.0081 0.0081
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0041 0.0081 0.0081
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0252 0.2351 0.2288
Brugia malayi isocitrate dehydrogenase 0.011 0.082 0.082
Schistosoma mansoni tar DNA-binding protein 0.0313 0.3009 0.2952
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0797 0.8217 0.8202
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0962 1 1
Echinococcus granulosus GPCR family 2 0.0252 0.2351 0.2288
Mycobacterium ulcerans glutaminase 0.027 0.2538 0.5
Schistosoma mansoni DNA polymerase eta 0.005 0.0179 0.0099
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0252 0.2351 0.2288
Schistosoma mansoni hypothetical protein 0.0252 0.2351 0.2288
Loa Loa (eye worm) hypothetical protein 0.0052 0.02 0.012
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0041 0.0081 0.0081
Loa Loa (eye worm) glutaminase 0.027 0.2538 0.2477
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0962 1 1
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0041 0.0081 0.0081
Echinococcus multilocularis dna polymerase eta 0.005 0.0179 0.0099
Brugia malayi RNA recognition motif domain containing protein 0.0313 0.3009 0.3009
Trypanosoma cruzi hypothetical protein, conserved 0.021 0.1894 1
Brugia malayi glutaminase DH11.1 0.027 0.2538 0.2538
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.011 0.082 0.0745
Schistosoma mansoni tar DNA-binding protein 0.0313 0.3009 0.2952
Schistosoma mansoni hypothetical protein 0.0252 0.2351 0.2288
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0041 0.0081 0.0081
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.02 0.0972
Loa Loa (eye worm) RNA binding protein 0.0313 0.3009 0.2952
Brugia malayi G-protein alpha subunit 0.0041 0.0081 0.0081
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.011 0.082 0.0745
Brugia malayi ImpB/MucB/SamB family protein 0.005 0.0179 0.0179

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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