Detailed information for compound 250474

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 502.849 | Formula: C10H12ClF6OsP
  • H donors: 0 H acceptors: 0 LogP: 7.77 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 2
  • SMILES: C1C=CC=C1.C1C=CC=C1.F[P-](F)(F)(F)(F)F.[Cl-].[Os+2]
  • InChi: 1S/2C5H6.ClH.F6P.Os/c2*1-2-4-5-3-1;;1-7(2,3,4,5)6;/h2*1-4H,5H2;1H;;/q;;;-1;+2/p-1
  • InChiKey: QIXJQAJCGPMSKA-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
Trypanosoma cruzi AMP deaminase, putative 0.0183 1 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0124 0.3021 0.3021
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0124 0.3021 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0124 0.3021 0.3021
Echinococcus granulosus AMP deaminase 2 0.0183 1 1
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0124 0.3021 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0124 0.3021 0.3021
Echinococcus granulosus purine nucleoside phosphorylase 0.0124 0.3021 0.3021
Echinococcus multilocularis AMP deaminase 2 0.0183 1 1
Schistosoma mansoni AMP deaminase 0.0183 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0124 0.3021 0.3021
Echinococcus multilocularis purine nucleoside phosphorylase 0.0124 0.3021 0.3021
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.0183 1 0.5
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0183 1 0.5
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0183 1 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0124 0.3021 0.3021
Loa Loa (eye worm) AMP deaminase 0.0183 1 1
Leishmania major AMP deaminase, putative 0.0183 1 0.5
Trypanosoma brucei AMP deaminase, putative 0.0183 1 0.5
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0124 0.3021 0.5
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.0183 1 0.5
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0183 1 0.5
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0124 0.3021 0.5
Loa Loa (eye worm) hypothetical protein 0.0154 0.6638 0.6638
Echinococcus granulosus purine nucleoside phosphorylase 0.0124 0.3021 0.3021
Entamoeba histolytica AMP deaminase, putative 0.0183 1 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0124 0.3021 0.3021
Toxoplasma gondii AMP deaminase 0.0183 1 0.5
Plasmodium falciparum AMP deaminase, putative 0.0183 1 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0124 0.3021 0.3021
Trypanosoma cruzi AMP deaminase, putative 0.0183 1 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0183 1 0.5
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.0183 1 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0183 1 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0183 1 0.5
Onchocerca volvulus AMP deaminase 2 homolog 0.0183 1 1
Trypanosoma brucei AMP deaminase, putative 0.0183 1 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0124 0.3021 0.3021
Plasmodium vivax adenosine/AMP deaminase, putative 0.0183 1 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0124 0.3021 0.3021
Trypanosoma brucei AMP deaminase, putative 0.0183 1 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0124 0.3021 0.3021
Entamoeba histolytica AMP deaminase, putative 0.0183 1 0.5
Echinococcus multilocularis purine nucleoside phosphorylase 0.0124 0.3021 0.3021
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0124 0.3021 0.5

Activities

Activity type Activity value Assay description Source Reference
E0 = 0.57 Redox potential of the compound was determined from cyclic voltammogram ChEMBL. No reference
IC50 (functional) = 7.9 uM Antiproliferative effect of the compound against human Daudi Burkitt lymphoma cells ChEMBL. No reference
IC50 (functional) = 11.2 uM Antiproliferative effect of the compound against human HL60 promyelocyiic leukemia cells ChEMBL. No reference
IC50 (functional) = 14.6 uM Antiproliferative effect of the compound against human COLO 320 colon adenocarcinoma cells ChEMBL. No reference
IC50 (functional) = 14.8 uM Antiproliferative effect of the compound against human U937 histiocytic lymphoma cells ChEMBL. No reference
IC50 (functional) = 16.1 uM Antiproliferative effect of the compound against mouse NIH3T3 embryonic cells ChEMBL. No reference
IC50 (functional) = 16.5 uM Antiproliferative effect of the compound against mouse LX830 lymphoma cells ChEMBL. No reference
IC50 (functional) = 19.3 uM Antiproliferative effect of the compound against mouse S180 sarcoma cells ChEMBL. No reference
Oxidation rate (binding) = 96 nM min-1 Rate of oxidation by the compound at 0.44 mM versus 0.49 mM of reduced cytochrome was determined at 30 degree C ChEMBL. No reference
Oxidation rate (binding) = 13 uM min-1 Rate of oxidation by the compound at 0.5 mM versus 0.24 mM of NADH was determined ChEMBL. No reference
Oxygen consumption rate (functional) = 6.8 nM min-1 Rate of oxygen consumption of human U937 cells (10e7 cells) at 200 uM concentration was determined at 30 degree C ChEMBL. No reference

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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