Detailed information for compound 15932

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 651.37 | Formula: C14H18F6N2O8Pt
  • H donors: 2 H acceptors: 4 LogP: 3.3 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(=O)O[Pt]1(OC(=O)C)(N[C@@H]2[C@H](N1)CCCC2)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
  • InChi: 1S/C6H12N2.2C2HF3O2.2C2H4O2.Pt/c7-5-3-1-2-4-6(5)8;2*3-2(4,5)1(6)7;2*1-2(3)4;/h5-8H,1-4H2;2*(H,6,7);2*1H3,(H,3,4);/q-2;;;;;+6/p-4/t5-,6-;;;;;/m1...../s1
  • InChiKey: ABQXJKYYWLFJKF-RQDPQJJXSA-J  

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
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.02 0.3563 1
Schistosoma mansoni transcription factor btf3 0.0037 0.0308 0.0308
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0144 0.0403
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0524 1 0.5
Plasmodium vivax basic transcription factor 3b, putative 0.0037 0.0308 0.0863
Schistosoma mansoni hypothetical protein 0.0041 0.0385 0.0385
Echinococcus multilocularis transcription factor btf3 0.0037 0.0308 0.0308
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0308 1
Trypanosoma brucei transcription factor BTF3, putative 0.0037 0.0308 0.0863
Entamoeba histolytica hypothetical protein 0.0041 0.0385 1
Brugia malayi hypothetical protein 0.0041 0.0385 0.0385
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0308 1
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0144 0.0403
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0144 0.0403
Loa Loa (eye worm) ICD-1 protein 0.0037 0.0308 0.0308
Entamoeba histolytica hypothetical protein 0.0041 0.0385 1
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0308 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.02 0.3563 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0385 0.0385
Toxoplasma gondii NAC domain-containing protein 0.0037 0.0308 0.0863
Echinococcus multilocularis dihydrofolate reductase 0.0524 1 1
Brugia malayi beta-NAC-like protein 0.0037 0.0308 0.0308
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0385 0.0385
Loa Loa (eye worm) dihydrofolate reductase 0.0524 1 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0524 1 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0037 0.0308 0.0863
Entamoeba histolytica hypothetical protein 0.0041 0.0385 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0144 0.0403
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0308 0.0863
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0524 1 1
Entamoeba histolytica hypothetical protein 0.0041 0.0385 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.02 0.3563 1
Entamoeba histolytica transcription factor BTF3, putative 0.0037 0.0308 0.798
Loa Loa (eye worm) hypothetical protein 0.0028 0.0144 0.0144
Entamoeba histolytica hypothetical protein 0.0037 0.0308 0.798
Schistosoma mansoni dihydrofolate reductase 0.0524 1 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.02 0.3563 1
Leishmania major hypothetical protein, conserved 0.0028 0.0144 0.0403
Brugia malayi Dihydrofolate reductase 0.0524 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0144 0.0403
Chlamydia trachomatis dihydrofolate reductase 0.0524 1 0.5
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.02 0.3563 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0 0.5
Echinococcus granulosus transcription factor btf3 0.0037 0.0308 0.0308
Brugia malayi hypothetical protein 0.0028 0.0144 0.0144
Echinococcus granulosus dihydrofolate reductase 0.0524 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0144 0.0403
Trypanosoma cruzi transcription factor btf3, putative 0.0037 0.0308 0.0863
Leishmania major dihydrofolate reductase-thymidylate synthase 0.02 0.3563 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0144 0.0403
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0385 0.0385
Leishmania major basic transcription factor 3a, putative 0.0037 0.0308 0.0863

Activities

Activity type Activity value Assay description Source Reference
T/C (functional) = 148 % Antitumor activity against L1210/cisplatin leukemia cells in mice at the optimal dose of 25 mg/kg/injection (median survival time of [treated mice/control mice]) ChEMBL. 9016335
T/C (functional) = 218 % Antitumor activity against L1210/0 leukemia cells in mice at the optimal dose of 25 mg/kg/injection (median survival time of [treated mice/control mice]) ChEMBL. 9016335

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.

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