Detailed information for compound 39588

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 841.113 | Formula: C36H52AuClP4
  • H donors: 0 H acceptors: 0 LogP: 7.79 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCP1(CC)CCP([Au+]21P(CC)(CC)CCP2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
  • InChi: 1S/2C18H24P2.Au.ClH/c2*1-3-19(4-2)15-16-20(17-11-7-5-8-12-17)18-13-9-6-10-14-18;;/h2*5-14H,3-4,15-16H2,1-2H3;;1H/q;;-3;/p+3
  • InChiKey: PJPPUOPBCLNWFX-UHFFFAOYSA-Q  


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
Trichomonas vaginalis CMGC family protein kinase 0.0055 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0089 0.9303 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0091 1 1
Trypanosoma brucei protein kinase, putative 0.0055 0 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0 0.5
Schistosoma mansoni hypothetical protein 0.0074 0.5236 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0 0.5
Schistosoma mansoni jun-related protein 0.0074 0.5236 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0091 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0055 0 0.5
Onchocerca volvulus 0.0072 0.4539 0.5
Giardia lamblia Kinase, CMGC MAPK 0.0055 0 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0 0.5
Echinococcus multilocularis jun protein 0.0091 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0055 0 0.5
Echinococcus granulosus jun protein 0.0091 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0055 0 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0 0.5
Brugia malayi hypothetical protein 0.0072 0.4539 0.4539

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 5 uM In vitro concentration which inhibits cloning efficiency of B16 melanoma cells by 50% on a 2-h exposure was determined. ChEMBL. 2329559
ILS (binding) = 0 % In vitro maximum increase in lifespan produced in mice bearing ip B16 melanoma implanted tumor ChEMBL. 2329559
ILS (functional) = 46 % In vitro maximum increase in lifespan produced in mice bearing M5076 reticulum cell sarcoma implanted tumor ChEMBL. 2329559
ILS (functional) = 54 % In vitro maximum increase in lifespan produced in mice bearing ip P388 leukemia ChEMBL. 2329559
MTD (functional) = 2 uM day-1 kg-1 In vitro maximally tolerated dose for B6D2F mice on an every day ip for 10 days regimen. ChEMBL. 2329559
MTD (functional) = 4 uM day-1 kg-1 In vitro maximally tolerated dose for B6D2F1 mice on an ip P388 leukemia every day for 5 days regimen ChEMBL. 2329559

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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