Detailed information for compound 1760026

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 593.194 | Formula: C20H21I2NO4
  • H donors: 2 H acceptors: 2 LogP: 4.31 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(CCc1cc(I)c(c(c1)I)Oc1ccc(cc1)O)NCC1CCCO1
  • InChi: 1S/C20H21I2NO4/c21-17-10-13(3-8-19(25)23-12-16-2-1-9-26-16)11-18(22)20(17)27-15-6-4-14(24)5-7-15/h4-7,10-11,16,24H,1-3,8-9,12H2,(H,23,25)
  • InChiKey: DTSTVRHGZCKBPH-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens proliferating cell nuclear antigen Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis proliferating cell nuclear antigen Get druggable targets OG5_127352 All targets in OG5_127352
Plasmodium yoelii proliferating cell nuclear antigen Get druggable targets OG5_127352 All targets in OG5_127352
Leishmania major proliferative cell nuclear antigen (PCNA), putative Get druggable targets OG5_127352 All targets in OG5_127352
Trypanosoma cruzi proliferative cell nuclear antigen (PCNA), putative Get druggable targets OG5_127352 All targets in OG5_127352
Leishmania donovani proliferative cell nuclear antigen (PCNA), putative Get druggable targets OG5_127352 All targets in OG5_127352
Babesia bovis proliferating cell nuclear antigen 1 Get druggable targets OG5_127352 All targets in OG5_127352
Schistosoma japonicum ko:K04802 proliferating cell nuclear antigen, putative Get druggable targets OG5_127352 All targets in OG5_127352
Trypanosoma cruzi proliferative cell nuclear antigen (PCNA), putative Get druggable targets OG5_127352 All targets in OG5_127352
Echinococcus granulosus proliferating cell nuclear antigen Get druggable targets OG5_127352 All targets in OG5_127352
Brugia malayi proliferating cell nuclear antigen (PCNA) Get druggable targets OG5_127352 All targets in OG5_127352
Cryptosporidium parvum proliferating cell nuclear antigen PCNA Get druggable targets OG5_127352 All targets in OG5_127352
Trypanosoma brucei proliferative cell nuclear antigen (PCNA), putative Get druggable targets OG5_127352 All targets in OG5_127352
Trypanosoma congolense proliferative cell nuclear antigen (PCNA), putative Get druggable targets OG5_127352 All targets in OG5_127352
Candida albicans PCNA-like orf Get druggable targets OG5_127352 All targets in OG5_127352
Trichomonas vaginalis proliferating cell nuclear antigen, putative Get druggable targets OG5_127352 All targets in OG5_127352
Leishmania braziliensis proliferative cell nuclear antigen (PCNA), putative Get druggable targets OG5_127352 All targets in OG5_127352
Plasmodium knowlesi proliferating cell nuclear antigen 1, putative Get druggable targets OG5_127352 All targets in OG5_127352
Giardia lamblia PcnA Get druggable targets OG5_127352 All targets in OG5_127352
Plasmodium berghei proliferating cell nuclear antigen 1, putative Get druggable targets OG5_127352 All targets in OG5_127352
Entamoeba histolytica proliferating cell nuclear antigen, putative Get druggable targets OG5_127352 All targets in OG5_127352
Leishmania infantum proliferative cell nuclear antigen (PCNA), putative Get druggable targets OG5_127352 All targets in OG5_127352
Plasmodium vivax proliferating cell nuclear antigen, putative Get druggable targets OG5_127352 All targets in OG5_127352
Candida albicans PCNA-like orf Get druggable targets OG5_127352 All targets in OG5_127352
Cryptosporidium hominis proliferating cell nuclear antigen (PCNA) (cyclin) Get druggable targets OG5_127352 All targets in OG5_127352
Loa Loa (eye worm) proliferating cell nuclear antigen Get druggable targets OG5_127352 All targets in OG5_127352
Theileria parva proliferating cell nuclear antigen, putative Get druggable targets OG5_127352 All targets in OG5_127352
Schistosoma mansoni proliferating cell nuclear antigen Get druggable targets OG5_127352 All targets in OG5_127352
Plasmodium falciparum proliferating cell nuclear antigen 1 Get druggable targets OG5_127352 All targets in OG5_127352
Toxoplasma gondii proliferating cell nuclear antigen PCNA1 Get druggable targets OG5_127352 All targets in OG5_127352
Leishmania mexicana proliferative cell nuclear antigen (PCNA), putative Get druggable targets OG5_127352 All targets in OG5_127352
Schistosoma mansoni proliferating cell nuclear antigen Get druggable targets OG5_127352 All targets in OG5_127352
Neospora caninum Proliferating cell nuclear antigen, related Get druggable targets OG5_127352 All targets in OG5_127352
Trichomonas vaginalis proliferating cell nuclear antigen, putative Get druggable targets OG5_127352 All targets in OG5_127352
Trypanosoma brucei gambiense proliferative cell nuclear antigen (PCNA), putative Get druggable targets OG5_127352 All targets in OG5_127352

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum proliferating cell nuclear antigen 2 proliferating cell nuclear antigen 261 aa 270 aa 34.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Leishmania major proliferative cell nuclear antigen (PCNA), putative 0.0038 1 0.5
Echinococcus multilocularis proliferating cell nuclear antigen 0.0038 1 0.5
Giardia lamblia PcnA 0.0038 1 0.5
Trypanosoma cruzi proliferative cell nuclear antigen (PCNA), putative 0.0038 1 0.5
Plasmodium vivax proliferating cell nuclear antigen, putative 0.0038 1 1
Schistosoma mansoni proliferating cell nuclear antigen 0.0038 1 0.5
Schistosoma mansoni proliferating cell nuclear antigen 0.0038 1 0.5
Trypanosoma cruzi proliferative cell nuclear antigen (PCNA), putative 0.0038 1 0.5
Trichomonas vaginalis proliferating cell nuclear antigen, putative 0.0038 1 0.5
Entamoeba histolytica proliferating cell nuclear antigen, putative 0.0038 1 0.5
Trichomonas vaginalis proliferating cell nuclear antigen, putative 0.0038 1 0.5
Toxoplasma gondii proliferating cell nuclear antigen PCNA1 0.0038 1 1
Plasmodium falciparum proliferating cell nuclear antigen 1 0.0038 1 1
Echinococcus granulosus proliferating cell nuclear antigen 0.0038 1 0.5
Trypanosoma brucei proliferative cell nuclear antigen (PCNA), putative 0.0038 1 0.5
Loa Loa (eye worm) proliferating cell nuclear antigen 0.0038 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.9 uM Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carboxyfluorescein-SAVLQKKITDYFHPKK after 30 mins by fluorescence polarization assay ChEMBL. 23395113

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.