Detailed information for compound 37711

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 480.394 | Formula: C26H21MnN2O4++
  • H donors: 0 H acceptors: 1 LogP: 5.97 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)c1cccc3[n+]1[Mn]1(O2)(OC(=O)C)Oc2cc(C)ccc2c2[n+]1c3ccc2
  • InChi: 1S/C24H20N2O2.C2H4O2.Mn/c1-15-10-12-23(27)18(13-15)20-6-4-8-22(26-20)21-7-3-5-19(25-21)17-11-9-16(2)14-24(17)28;1-2(3)4;/h3-14,27-28H,1-2H3;1H3,(H,3,4);/q;;+5/p-3
  • InChiKey: QPDJOSNIFGZIPN-UHFFFAOYSA-K  

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 Glyceraldehyde 3-phosphate dehydrogenase 0.0665 0.2595 0.3253
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1163 0.4867 0.6159
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1828 0.7903 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1828 0.7903 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1163 0.4867 0.5715
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0665 0.2595 0.2507
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1828 0.7903 0.7281
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1828 0.7903 0.7281
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1828 0.7903 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.123 0.5176 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1828 0.7903 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.0207 0.0239
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.1828 0.7903 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.1163 0.4867 0.9394
Schistosoma mansoni glutaminase 0.0276 0.0819 0.1037
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.1828 0.7903 0.5
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1828 0.7903 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.2287 1 1
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0565 0.214 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.1828 0.7903 0.7281
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.123 0.5176 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.1828 0.7903 0.5
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0597 0.2287 0.2861
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.1828 0.7903 0.5
Loa Loa (eye worm) glutaminase 0.0276 0.0819 0.1442
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.1828 0.7903 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1828 0.7903 0.7281
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1828 0.7903 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0142 0.0207 0.0262
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1828 0.7903 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1828 0.7903 0.7281
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1163 0.4867 0.5715
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1828 0.7903 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.1828 0.7903 1
Loa Loa (eye worm) glutaminase 2 0.0276 0.0819 0.1442
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.1163 0.4867 0.9394
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.1828 0.7903 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1828 0.7903 1
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.1828 0.7903 0.5
Brugia malayi Metabotropic glutamate receptor precursor. 0.0115 0.0085 0.0063
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1828 0.7903 0.5
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0565 0.214 0.5
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.1828 0.7903 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1828 0.7903 0.7281
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.1828 0.7903 0.7281
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1828 0.7903 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.1163 0.4867 0.6159
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1828 0.7903 1
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.1828 0.7903 1
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.1828 0.7903 1
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.2287 1 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0142 0.0207 0.0262
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.1828 0.7903 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0131 0.0157 0.0199
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.1828 0.7903 0.5
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.1828 0.7903 0.5
Brugia malayi glutaminase DH11.1 0.0276 0.0819 0.0996
Loa Loa (eye worm) hypothetical protein 0.1163 0.4867 0.9394
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.2287 1 1

Activities

Activity type Activity value Assay description Source Reference
Hydrogen peroxide degradation (functional) = 0.18 Catalase mimetic activity, millimoles hydrogen peroxide degraded per minute per millimole, compared to manganese complex EUK-134 activity ChEMBL. 11378356
SOD activity (functional) = 116 mM Superoxide dismutase mimetic activity, compared to manganese complex EUK-134 ChEMBL. 11378356

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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