Detailed information for compound 762899

Basic information

Technical information
  • TDR Targets ID: 762899
  • Name: 7-fluoro-1-(4-hydroxy-3-methoxyphenyl)-2-(phe nylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dion e
  • MW: 431.413 | Formula: C25H18FNO5
  • H donors: 1 H acceptors: 3 LogP: 3.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1O)C1N(Cc2ccccc2)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F
  • InChi: 1S/C25H18FNO5/c1-31-20-11-15(7-9-18(20)28)22-21-23(29)17-12-16(26)8-10-19(17)32-24(21)25(30)27(22)13-14-5-3-2-4-6-14/h2-12,22,28H,13H2,1H3
  • InChiKey: PTOLVZMYRVLNPM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-fluoro-1-(4-hydroxy-3-methoxy-phenyl)-2-(phenylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 2-(benzyl)-7-fluoro-1-(4-hydroxy-3-methoxy-phenyl)-1H-chromeno[2,3-c]pyrrole-3,9-quinone

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 granulosus intermediate filament protein 0.0028 0.0239 0.0231
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.1088 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.1088 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.1088 0.1081
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.1088 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0239 0.1193
Loa Loa (eye worm) hypothetical protein 0.0013 0.0008 0.0046
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0642 0.0634
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.1088 0.5
Echinococcus multilocularis lamin 0.0028 0.0239 0.0231
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1319 0.1106
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0642 0.0634
Schistosoma mansoni microsomal glutathione s-transferase 0.0629 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.1319 0.1312
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.1088 0.087
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.1088 0.087
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.1088 1
Toxoplasma gondii MAPEG family protein 0.0629 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1319 0.1312
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0629 1 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1088 0.6146
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.1319 0.745
Brugia malayi intermediate filament protein 0.0028 0.0239 0.1193
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0239 0.1352
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.1771 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.1088 0.1081
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1319 0.1106
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0239 0.1352
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1319 0.1106
Echinococcus multilocularis musashi 0.0028 0.0239 0.0231
Loa Loa (eye worm) hypothetical protein 0.0028 0.0239 0.1352
Echinococcus granulosus lamin 0.0028 0.0239 0.0231
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0642 0.5
Onchocerca volvulus 0.0028 0.0239 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.1319 0.7403
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.1088 1
Echinococcus granulosus lamin dm0 0.0028 0.0239 0.0231
Echinococcus multilocularis lamin dm0 0.0028 0.0239 0.0231
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.1088 0.087
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.1771 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0032 0.018
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0642 0.4744
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0642 0.5
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0629 1 1
Brugia malayi MH2 domain containing protein 0.0122 0.1771 1
Onchocerca volvulus 0.0028 0.0239 0.5
Brugia malayi Probable ClpP-like protease 0.008 0.1088 0.6075
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.008 0.1088 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0231 0.1306
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.1319 0.1312
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.1088 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.1088 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1319 0.1312

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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