Detailed information for compound 103859

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 459.354 | Formula: C10H20N2O6Pt++
  • H donors: 2 H acceptors: 2 LogP: -0.13 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CO[Pt]1([NH2+]CC2(C[NH2+]1)COC(OC2)(C)C)OC=O
  • InChi: 1S/C8H18N2O2.2CH2O2.Pt/c1-7(2)11-5-8(3-9,4-10)6-12-7;2*2-1-3;/h3-6,9-10H2,1-2H3;2*1H,(H,2,3);/q;;;+4/p-2
  • InChiKey: QBHPXAKJPQDFCY-UHFFFAOYSA-L  


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
Leishmania major glucose transporter, lmgt2 0.0067 0 0.5
Trypanosoma brucei glucose transporter, putative 0.0067 0 0.5
Trypanosoma brucei glucose transporter, putative 0.0067 0 0.5
Toxoplasma gondii facilitative glucose transporter GT1 0.0218 1 0.5
Leishmania major glucose transporter, lmgt3 0.0067 0 0.5
Trypanosoma brucei glucose transporter, putative 0.0067 0 0.5
Schistosoma mansoni glucose transport protein 0.0218 1 0.5
Schistosoma mansoni hypothetical protein 0.0218 1 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0218 1 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0067 0 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0218 1 1
Trypanosoma brucei glucose transporter 1E 0.0067 0 0.5
Trypanosoma brucei THT1 - hexose transporter, putative 0.0067 0 0.5
Schistosoma mansoni glucose transport protein 0.0218 1 0.5
Trypanosoma brucei glucose transporter, putative 0.0067 0 0.5
Trypanosoma brucei glucose transporter, putative 0.0067 0 0.5
Leishmania major glucose transporter, lmgt1 0.0067 0 0.5
Loa Loa (eye worm) sugar transporter 0.0218 1 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0218 1 1
Schistosoma mansoni glucose transport protein 0.0218 1 0.5
Trypanosoma brucei glucose transporter, putative 0.0067 0 0.5
Plasmodium vivax hexose transporter 0.0218 1 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0218 1 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0218 1 1
Trypanosoma brucei glucose transporter 2A 0.0067 0 0.5
Trypanosoma cruzi hexose transporter 0.0067 0 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0218 1 1
Trypanosoma brucei glucose transporter, putative 0.0067 0 0.5
Trypanosoma brucei glucose transporter, putative 0.0067 0 0.5
Trypanosoma cruzi hexose transporter, putative 0.0067 0 0.5
Trypanosoma brucei THT1 - hexose transporter, putative 0.0067 0 0.5
Leishmania major glucose transporter/membrane transporter D2, putative 0.0067 0 0.5
Plasmodium falciparum hexose transporter 0.0218 1 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0218 1 1
Trypanosoma cruzi hexose transporter, putative 0.0067 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0218 1 1
Trypanosoma cruzi hexose transporter, putative 0.0067 0 0.5
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0218 1 1

Activities

Activity type Activity value Assay description Source Reference
Increase (functional) = 68 % Percent increase in life span when compound administered at 25 mg/kg against B-16 melanoma cells in C57BC/6 mice ChEMBL. 2671371
Increase (functional) = 173 % Percent increase in life span when compound administered at 25 mg/kg against P388 leukemia cells in BDF1 mice ChEMBL. 2671371
Survivors (functional) = 0 % Percent survivors when compound administered at 25 mg/kg against B-16 melanoma cells in C57BC/6 mice ChEMBL. 2671371
Survivors (functional) = 5 % Percent survivors when compound administered at 25 mg/kg against P388 leukemia cells in BDF1 mice ChEMBL. 2671371
Water solubility (ADMET) = 100 mg ml-1 Water solubility of the compound was determined ChEMBL. 2671371

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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