Detailed information for compound 1721178

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 334.125 | Formula: C14H9IO2
  • H donors: 1 H acceptors: 1 LogP: 4.28 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)c1cc2c(o1)ccc(c2)[125I]
  • InChi: 1S/C14H9IO2/c15-11-3-6-13-10(7-11)8-14(17-13)9-1-4-12(16)5-2-9/h1-8,16H/i15-2
  • InChiKey: CKHVLIPNLNMQRR-VLPIPSKASA-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
Trypanosoma cruzi endonuclease III, putative 0.0064 0.0159 0.1207
Trichomonas vaginalis nuclease Rad1 0.034 0.2071 0.6793
Trypanosoma brucei DNA repair protein, putative 0.0207 0.1149 0.8737
Echinococcus granulosus sodium:myo inositol cotransporter 0.0164 0.0848 0.0848
Schistosoma mansoni exonuclease 0.0047 0.0039 0.0039
Trypanosoma cruzi A/G-specific adenine glycosylase, putative 0.0064 0.0159 0.1207
Mycobacterium ulcerans endonuclease III Nth 0.0064 0.0159 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0039 0.0039
Treponema pallidum A/G-specific adenine glycosylase 0.0064 0.0159 0.5
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0047 0.0039 0.0128
Brugia malayi Endonuclease III-like protein 1 0.0064 0.0159 0.0159
Schistosoma mansoni DNA repair endonuclease xp-f / mei-9 / rad1 0.034 0.2071 0.2071
Trypanosoma brucei endonuclease III, putative 0.0064 0.0159 0.1207
Echinococcus granulosus solute carrier family 5 0.0164 0.0848 0.0848
Loa Loa (eye worm) helix-hairpin-helix domain-containing protein family protein 0.0479 0.3031 0.3031
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0231 0.1315 0.4337
Echinococcus multilocularis exonuclease 1 0.0047 0.0039 0.0039
Schistosoma mansoni high-affinity choline transporter 0.1485 1 1
Trypanosoma cruzi DNA repair protein RAD2, putative 0.0047 0.0039 0.0295
Schistosoma mansoni inositol transporter 0.0164 0.0848 0.0848
Leishmania major endonuclease III, putative 0.0064 0.0159 0.1207
Plasmodium falciparum DNA repair protein RAD2, putative 0.0047 0.0039 0.0128
Echinococcus granulosus DNA repair protein complementing XP G cells 0.0047 0.0039 0.0039
Brugia malayi Sodium:solute symporter family protein 0.0164 0.0848 0.0848
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family 0.0047 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.1485 1 1
Plasmodium falciparum DNA repair endonuclease, putative 0.0299 0.1785 0.5888
Plasmodium falciparum exonuclease I, putative 0.0047 0.0039 0.0128
Echinococcus granulosus DNA excision repair protein ERCC 1 0.0479 0.3031 0.3031
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0164 0.0848 0.0848
Trichomonas vaginalis flap endonuclease-1, putative 0.0231 0.1315 0.4264
Plasmodium falciparum endonuclease III homologue, putative 0.0064 0.0159 0.0523
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0164 0.0848 0.0848
Loa Loa (eye worm) XPG I-region family protein 0.0047 0.0039 0.0039
Brugia malayi Flap endonuclease-1 0.0231 0.1315 0.1315
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0231 0.1315 1
Trypanosoma cruzi hypothetical protein, conserved 0.0047 0.0039 0.0295
Entamoeba histolytica endonuclease III, putative 0.0064 0.0159 0.04
Toxoplasma gondii helix-hairpin-helix motif domain-containing protein 0.0064 0.0159 0.0523
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0164 0.0848 0.0848
Trichomonas vaginalis excision repair cross-complementing 1 ercc1, putative 0.0479 0.3031 1
Entamoeba histolytica DNA repair endonuclease, putative 0.034 0.2071 0.6793
Trypanosoma cruzi 8-oxoguanine DNA glycosylase, putative 0.0064 0.0159 0.1207
Echinococcus multilocularis DNA excision repair protein ERCC 1 0.0479 0.3031 0.3031
Schistosoma mansoni endonuclease III 0.0064 0.0159 0.0159
Echinococcus multilocularis dna repair endonuclease xpf 0.034 0.2071 0.2071
Schistosoma mansoni flap endonuclease-1 0.0209 0.1161 0.1161
Onchocerca volvulus 0.0164 0.0848 1
Plasmodium vivax DNA repair protein RAD2, putative 0.0047 0.0039 0.0128
Echinococcus granulosus sodium:glucose cotransporter 0.0164 0.0848 0.0848
Plasmodium vivax flap endonuclease 1, putative 0.0231 0.1315 0.4337
Toxoplasma gondii endonuclease III family 1 protein 0.0064 0.0159 0.0523
Giardia lamblia Flap structure-specific endonuclease 0.0231 0.1315 1
Echinococcus multilocularis solute carrier family 5 0.0164 0.0848 0.0848
Brugia malayi XPG I-region family protein 0.0047 0.0039 0.0039
Schistosoma mansoni xp-G/rad2 DNA repair endonuclease family member 0.0047 0.0039 0.0039
Trypanosoma cruzi endonuclease III, putative 0.0064 0.0159 0.1207
Echinococcus granulosus flap endonuclease 1 0.0231 0.1315 0.1315
Plasmodium vivax exonuclease I, putative 0.0047 0.0039 0.0128
Brugia malayi ERCC4 domain containing protein 0.034 0.2071 0.2071
Echinococcus multilocularis flap endonuclease GEN 1 0.0047 0.0039 0.0039
Mycobacterium ulcerans adenine glycosylase MutY 0.0064 0.0159 0.5
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0164 0.0848 0.2798
Schistosoma mansoni inositol transporter 0.0164 0.0848 0.0848
Echinococcus granulosus exonuclease 1 0.0047 0.0039 0.0039
Echinococcus multilocularis endonuclease III protein 1 0.0064 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.0064 0.0159 0.0159
Trypanosoma cruzi 8-oxoguanine DNA glycosylase, putative 0.0064 0.0159 0.1207
Plasmodium falciparum ERCC1 nucleotide excision repair protein, putative 0.0479 0.3031 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0039 0.0039
Trypanosoma cruzi DNA repair protein, putative 0.0207 0.1149 0.8737
Echinococcus granulosus flap endonuclease GEN 1 0.0047 0.0039 0.0039
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0231 0.1315 1
Wolbachia endosymbiont of Brugia malayi EndoIII-related endonuclease 0.0064 0.0159 0.5
Giardia lamblia hypothetical protein 0.0047 0.0039 0.0295
Loa Loa (eye worm) ERCC4 domain-containing protein 0.034 0.2071 0.2071
Schistosoma mansoni excision repair cross-complementing 1 ercc1 0.0479 0.3031 0.3031
Echinococcus granulosus endonuclease III protein 1 0.0064 0.0159 0.0159
Entamoeba histolytica DNA excision repair protein, putative 0.0479 0.3031 1
Trypanosoma brucei exonuclease, putative 0.0047 0.0039 0.0295
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0047 0.0039 0.0128
Plasmodium falciparum flap endonuclease 1 0.0231 0.1315 0.4337
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0231 0.1315 1
Echinococcus granulosus high affinity choline transporter 1 0.1485 1 1
Schistosoma mansoni sodium/solute symporter 0.0164 0.0848 0.0848
Entamoeba histolytica Flap nuclease, putative 0.0231 0.1315 0.4264
Chlamydia trachomatis endonuclease III 0.0064 0.0159 0.5
Entamoeba histolytica endonuclease III, putative 0.0064 0.0159 0.04
Giardia lamblia Exonuclease 1 0.0047 0.0039 0.0295
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0164 0.0848 0.0848
Trypanosoma brucei DNA repair protein RAD2, putative 0.0047 0.0039 0.0295
Trypanosoma cruzi DNA repair protein, putative 0.0207 0.1149 0.8737
Trypanosoma cruzi hypothetical protein, conserved 0.0047 0.0039 0.0295
Trypanosoma brucei 8-oxoguanine DNA glycosylase, putative 0.0064 0.0159 0.1207
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0047 0.0039 0.0128
Trypanosoma cruzi DNA repair protein RAD2, putative 0.0047 0.0039 0.0295
Echinococcus multilocularis DNA repair protein complementing XP G cells 0.0047 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0164 0.0848 0.0848
Leishmania major hypothetical protein, conserved 0.0047 0.0039 0.0295
Echinococcus multilocularis high affinity choline transporter 1 0.1485 1 1
Plasmodium vivax ERCC1 nucleotide excision repair protein, putative 0.0479 0.3031 1
Toxoplasma gondii ERCC4 domain-containing protein 0.034 0.2071 0.6834
Toxoplasma gondii DNA repair protein rad10 subfamily protein 0.0479 0.3031 1
Echinococcus granulosus sodium:glucose cotransporter 2 0.0164 0.0848 0.0848
Loa Loa (eye worm) flap endonuclease-1 0.0231 0.1315 0.1315
Echinococcus granulosus dna repair endonuclease xpf 0.034 0.2071 0.2071
Brugia malayi Helix-hairpin-helix motif family protein 0.0272 0.1596 0.1596
Toxoplasma gondii XPG N-terminal domain-containing protein 0.0047 0.0039 0.0128
Schistosoma mansoni DNA glycosylase 0.0064 0.0159 0.0159
Mycobacterium tuberculosis Probable adenine glycosylase MutY 0.0064 0.0159 1
Plasmodium vivax endonuclease III homologue, putative 0.0064 0.0159 0.0523
Chlamydia trachomatis A/G-specific adenine glycosylase 0.0064 0.0159 0.5
Entamoeba histolytica A/G-specific adenine glycosylase, putative 0.0064 0.0159 0.04
Echinococcus multilocularis flap endonuclease 1 0.0231 0.1315 0.1315
Plasmodium vivax DNA repair endonuclease, putative 0.034 0.2071 0.6834

Activities

Activity type Activity value Assay description Source Reference
Drug uptake (ADMET) < 1.5 %ID Drug uptake in iv dosed ICR mouse brain ChEMBL. 22690944

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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