Detailed information for compound 1828342

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 881.286 | Formula: C51H54Cl3NO2P2
  • H donors: 2 H acceptors: 3 LogP: 13.58 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCc1c(C[P+](c2ccc(cc2)C)(c2ccc(cc2)C)c2ccc(cc2)C)c([nH+]c(c1O)C)C[P+](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C.[Cl-].[Cl-].[Cl-]
  • InChi: 1S/C51H52NO2P2.3ClH/c1-35-8-20-42(21-9-35)55(43-22-10-36(2)11-23-43,44-24-12-37(3)13-25-44)33-49-48(32-53)51(54)41(7)52-50(49)34-56(45-26-14-38(4)15-27-45,46-28-16-39(5)17-29-46)47-30-18-40(6)19-31-47;;;/h8-31,53H,32-34H2,1-7H3;3*1H/q+1;;;/p-1
  • InChiKey: ZHUASMPDNFAYHR-UHFFFAOYSA-M  

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 Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0779 0.0779
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0224 0.8197 0.5
Schistosoma mansoni hypothetical protein 0.0054 0.0699 0.0853
Trichomonas vaginalis CMGC family protein kinase 0.0224 0.8197 0.5
Trypanosoma brucei protein kinase, putative 0.0224 0.8197 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.1316 0.1606
Echinococcus multilocularis survival motor neuron protein 1 0.0265 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0779 0.0779
Echinococcus granulosus mitogen activated protein kinase 3 0.0224 0.8197 0.7924
Loa Loa (eye worm) hypothetical protein 0.0265 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0224 0.8197 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.0779 0.0779
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1316 0.5
Schistosoma mansoni survival motor neuron protein 0.0054 0.0699 0.0853
Trichomonas vaginalis CMGC family protein kinase 0.0224 0.8197 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.1316 0.1606
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0224 0.8197 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0224 0.8197 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0779 0.0779
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.1316 0.5
Loa Loa (eye worm) hypothetical protein 0.0167 0.5697 0.5697
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0224 0.8197 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0224 0.8197 0.7924
Echinococcus granulosus muscleblind protein 0.0167 0.5697 0.5045
Echinococcus granulosus mitogen activated protein kinase 0.0224 0.8197 0.7924
Brugia malayi Muscleblind-like protein 0.0167 0.5697 0.5697
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0224 0.8197 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0224 0.8197 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1316 0.5
Brugia malayi MAP kinase sur-1 0.0224 0.8197 0.8197
Onchocerca volvulus 0.0054 0.0699 0.5
Loa Loa (eye worm) hypothetical protein 0.0167 0.5697 0.5697
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0224 0.8197 0.8197
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0224 0.8197 0.5
Echinococcus multilocularis muscleblind protein 1 0.0167 0.5697 0.5045
Giardia lamblia Kinase, CMGC MAPK 0.0224 0.8197 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0699 0.0699
Echinococcus multilocularis muscleblind protein 0.0167 0.5697 0.5045
Echinococcus granulosus survival motor neuron protein 1 0.0265 1 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0224 0.8197 0.7924
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0224 0.8197 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0224 0.8197 1
Trichomonas vaginalis CMGC family protein kinase 0.0224 0.8197 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1316 0.5

Activities

No activities found for this compound.

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

No literature references available for this target.

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