Detailed information for compound 291333

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 477.288 | Formula: C10H10N4O6Pt++
  • H donors: 0 H acceptors: 4 LogP: 3.1 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)O[Pt]([n+]1ccccc1)([n+]1ccccc1)O[N+](=O)[O-]
  • InChi: 1S/2C5H5N.2NO3.Pt/c2*1-2-4-6-5-3-1;2*2-1(3)4;/h2*1-5H;;;/q;;2*-1;+4
  • InChiKey: NWOPUAAFXZKRSP-UHFFFAOYSA-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
Brugia malayi flavodoxin family protein 0.0128 0.0703 0.003
Loa Loa (eye worm) hypothetical protein 0.0335 0.572 0.5411
Leishmania major p450 reductase, putative 0.0335 0.572 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0128 0.0703 0.1229
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2453 0.4289
Entamoeba histolytica serine/threonine protein kinase, putative 0.02 0.2453 1
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2453 0.4289
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0335 0.572 1
Brugia malayi FAD binding domain containing protein 0.0207 0.2612 0.2078
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0335 0.572 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0128 0.0703 0.1229
Loa Loa (eye worm) hypothetical protein 0.0511 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.02 0.2453 0.3488
Echinococcus granulosus methionine synthase reductase 0.0207 0.2612 0.0487
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0128 0.0703 0.1229
Brugia malayi FAD binding domain containing protein 0.0335 0.572 0.5411
Schistosoma mansoni diflavin oxidoreductase 0.0166 0.1627 0.2763
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0335 0.572 1
Plasmodium falciparum nitric oxide synthase, putative 0.0335 0.572 1
Trypanosoma cruzi polo-like protein kinase, putative 0.02 0.2453 0.3488
Echinococcus multilocularis methionine synthase reductase 0.0207 0.2612 0.0487
Loa Loa (eye worm) FAD binding domain-containing protein 0.0207 0.2612 0.2078
Brugia malayi flavodoxin family protein 0.0335 0.572 0.5411
Schistosoma mansoni serine/threonine protein kinase 0.02 0.2453 0.4224
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.02 0.2453 0.1907
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0297 0.4797 0.8385
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0335 0.572 1
Schistosoma mansoni cytochrome P450 reductase 0.0335 0.572 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0335 0.572 1
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2453 0.4289
Trichomonas vaginalis sulfite reductase, putative 0.0335 0.572 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0335 0.572 1
Brugia malayi serine/threonine-protein kinase plk-2 0.02 0.2453 0.1907
Toxoplasma gondii flavodoxin domain-containing protein 0.0166 0.1627 0.5
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0335 0.572 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.0169 0.1689 0.2872
Trypanosoma cruzi p450 reductase, putative 0.0335 0.572 1
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0335 0.572 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0335 0.572 1
Trypanosoma brucei polo-like protein kinase 0.02 0.2453 0.3488
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2453 0.4289
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0335 0.572 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0335 0.572 0.5411
Leishmania major cytochrome P450 reductase, putative 0.0297 0.4797 0.8159
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2453 0.4289
Giardia lamblia Hypothetical protein 0.0297 0.4797 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.02 0.2453 0.3488
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0128 0.0703 0.1229
Toxoplasma gondii flavodoxin domain-containing protein 0.0166 0.1627 0.5
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0335 0.572 1
Giardia lamblia Nitric oxide synthase, inducible 0.0297 0.4797 1
Loa Loa (eye worm) flavodoxin family protein 0.0128 0.0703 0.003
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0335 0.572 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0335 0.572 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0335 0.572 1
Treponema pallidum flavodoxin 0.0128 0.0703 0.5
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2453 0.4289
Plasmodium vivax flavodoxin domain containing protein 0.0297 0.4797 0.8159
Trichomonas vaginalis CAMK family protein kinase 0.02 0.2453 0.4289
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0207 0.2612 0.4505
Onchocerca volvulus Serine\/threonine kinase homolog 0.02 0.2453 0.5
Chlamydia trachomatis sulfite reductase 0.0207 0.2612 0.5

Activities

Activity type Activity value Assay description Source Reference
logP (ADMET) = -1.59 Partition coefficient (logP) ChEMBL. 1995911
Optimal dose (functional) = 105 uM kg-1 Optimal dose of the compound evaluated for antitumor activity against P388 murine leukemia cells in female DBA/2 mice. ChEMBL. 1995911
T/C (functional) = 125 % Median survival time of treated mice with respect to untreated controls. ChEMBL. 1995911

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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