Detailed information for compound 37067

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.707 | Formula: C3H15ClN4O3Pt++
  • H donors: 3 H acceptors: 3 LogP: -1.47 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(N[Pt]([NH3+])([NH3+])Cl)C.[O-][N+](=O)O
  • InChi: 1S/C3H8N.ClH.HNO3.2H3N.Pt/c1-3(2)4;;2-1(3)4;;;/h3-4H,1-2H3;1H;(H,2,3,4);2*1H3;/q-1;;;;;+4/p-1
  • InChiKey: IJKALVNEAXWZML-UHFFFAOYSA-M  


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
Treponema pallidum ATP-dependent RNA helicase 0.0107 0.0022 0.5
Loa Loa (eye worm) hypothetical protein 0.1111 0.3364 0.335
Loa Loa (eye worm) hypothetical protein 0.0298 0.0658 0.0637
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0107 0.0022 0.0034
Brugia malayi Kelch motif family protein 0.0298 0.0658 0.1002
Echinococcus granulosus integrin alpha 3 0.1544 0.4805 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0107 0.0022 0.5
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0107 0.0022 1
Echinococcus multilocularis integrin alpha 3 0.1544 0.4805 1
Brugia malayi Integrin alpha pat-2 precursor 0.2014 0.637 1
Loa Loa (eye worm) hypothetical protein 0.0433 0.1106 0.1087
Plasmodium falciparum eukaryotic initiation factor 4A 0.0107 0.0022 0.5
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0107 0.0022 0.5
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0688 0.1954 0.404
Echinococcus multilocularis integrin alpha ps 0.0903 0.2671 0.5539
Echinococcus granulosus integrin beta 2 0.1453 0.4503 0.9368
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0107 0.0022 0.5
Schistosoma mansoni integrin alpha-ps 0.047 0.123 0.1932
Schistosoma mansoni hypothetical protein 0.0433 0.1106 0.1737
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0107 0.0022 0.5
Echinococcus granulosus integrin alpha ps 0.0903 0.2671 0.5539
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0107 0.0022 0.5
Loa Loa (eye worm) hypothetical protein 0.047 0.123 0.1211
Plasmodium vivax RNA helicase-1, putative 0.0107 0.0022 0.5
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0298 0.0658 0.0637
Loa Loa (eye worm) hypothetical protein 0.1524 0.4737 0.4725
Schistosoma mansoni integrin alpha-ps 0.0903 0.2671 0.4193
Brugia malayi Integrin beta pat-3 precursor 0.1772 0.5563 0.8729
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0107 0.0022 0.5
Schistosoma mansoni integrin beta subunit 0.1155 0.351 0.5511
Schistosoma mansoni integrin alpha 0.2014 0.637 1
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0688 0.1954 0.404
Echinococcus multilocularis integrin beta 2 0.1453 0.4503 0.9368
Echinococcus granulosus integrin alpha ps 0.0433 0.1106 0.2267
Brugia malayi hypothetical protein 0.0298 0.0658 0.1002
Loa Loa (eye worm) integrin beta-2 0.1772 0.5563 0.5553
Echinococcus multilocularis integrin alpha ps 0.0433 0.1106 0.2267
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0107 0.0022 0.5
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0107 0.0022 0.5
Loa Loa (eye worm) hypothetical protein 0.1582 0.4929 0.4918
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0107 0.0022 0.0034
Brugia malayi Integrin alpha cytoplasmic region family protein 0.1524 0.4737 0.7427
Echinococcus multilocularis integrin alpha ps 0.0903 0.2671 0.5539
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0107 0.0022 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.0107 0.0022 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0107 0.0022 0.5
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0107 0.0022 0.5

Activities

Activity type Activity value Assay description Source Reference
ILS (functional) = 13 % Compound is tested against sarcoma 180 ascites (S180a) in female CFW mice, and evaluated for the best percent of increase in life span at optimal dose of 40 mg/kg ChEMBL. 2909724

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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