Detailed information for compound 976540

Basic information

Technical information
  • TDR Targets ID: 976540
  • Name: 2-[2-amino-6-(2,2,2-trifluoroethylamino)purin -9-yl]ethoxymethylphosphonic acid
  • MW: 370.225 | Formula: C10H14F3N6O4P
  • H donors: 4 H acceptors: 6 LogP: -0.81 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(NCC(F)(F)F)c2c(n1)n(CCOCP(=O)(O)O)cn2
  • InChi: 1S/C10H14F3N6O4P/c11-10(12,13)3-15-7-6-8(18-9(14)17-7)19(4-16-6)1-2-23-5-24(20,21)22/h4H,1-3,5H2,(H2,20,21,22)(H3,14,15,17,18)
  • InChiKey: VFOXDAHCGDXOMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-amino-6-(2,2,2-trifluoroethylamino)-9-purinyl]ethoxymethylphosphonic acid
  • AIDS-179772
  • AIDS179772
  • GS 8367
  • Phosphonic acid, [[2-[2-amino-6-[(2,2,2-trifluoroethyl)amino]-9H-purin-9-yl]ethoxy]methyl]-

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
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.4505 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.3659 0.8067 1
Echinococcus multilocularis Xaa Pro aminopeptidase 3 0.0462 0.0761 0.0761
Trypanosoma brucei methionine aminopeptidase, putative 0.4505 1 1
Plasmodium vivax FACT complex subunit SPT16, putative 0.0462 0.0761 0.0761
Treponema pallidum methionine aminopeptidase (map) 0.3659 0.8067 1
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.3659 0.8067 0.8067
Brugia malayi metallopeptidase family M24 containing protein 0.0462 0.0761 0.0761
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.3659 0.8067 1
Loa Loa (eye worm) initiation factor 2-associated protein 0.0462 0.0761 0.0761
Loa Loa (eye worm) metallopeptidase family M24 containing protein 0.0462 0.0761 0.0761
Echinococcus multilocularis methionine aminopeptidase, type I 0.0462 0.0761 0.0761
Loa Loa (eye worm) hypothetical protein 0.0462 0.0761 0.0761
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.4505 1 1
Plasmodium vivax methionine aminopeptidase 1c, putative 0.0462 0.0761 0.0761
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0462 0.0761 0.5
Loa Loa (eye worm) DNA-binding protein 0.0462 0.0761 0.0761
Loa Loa (eye worm) methionine aminopeptidase type I 0.4505 1 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.3659 0.8067 1
Schistosoma mansoni chromatin-specific transcription elongation factor 140 kDa subunit (M24 family) 0.0462 0.0761 0.0943
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.3659 0.8067 1
Loa Loa (eye worm) hypothetical protein 0.0462 0.0761 0.0761
Echinococcus granulosus xaa Pro dipeptidase 0.0462 0.0761 0.0761
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0462 0.0761 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0761 0.1444 0.1444
Plasmodium vivax peptidase, putative 0.0462 0.0761 0.0761
Trypanosoma cruzi hypothetical protein, conserved 0.0846 0.1638 0.0949
Brugia malayi DNA-binding protein, 42 kDa containing protein 0.0462 0.0761 0.0761
Echinococcus granulosus methionyl aminopeptidase 2 0.0462 0.0761 0.0761
Chlamydia trachomatis methionine aminopeptidase 0.3659 0.8067 1
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.3659 0.8067 1
Echinococcus multilocularis FACT complex subunit SPT16 0.0462 0.0761 0.0761
Mycobacterium ulcerans methionine aminopeptidase MapB 0.3659 0.8067 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0462 0.0761 0.5
Plasmodium vivax hypothetical protein, conserved 0.0846 0.1638 0.1638
Loa Loa (eye worm) norepinephrine transporter 0.0761 0.1444 0.1444
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.4505 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0761 0.1444 0.179
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.4505 1 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.3659 0.8067 1
Entamoeba histolytica aminopeptidase, putative 0.0462 0.0761 0.5
Leishmania major hypothetical protein, conserved 0.0846 0.1638 0.0949
Echinococcus granulosus serotonin transporter 0.0761 0.1444 0.1444
Giardia lamblia Methionine aminopeptidase 0.0462 0.0761 0.5
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0462 0.0761 0.0943
Echinococcus multilocularis xaa Pro dipeptidase 0.0462 0.0761 0.0761
Toxoplasma gondii transcriptional elongation factor FACT140 0.0462 0.0761 0.0761
Plasmodium falciparum methionine aminopeptidase 1c, putative 0.0462 0.0761 0.0761
Onchocerca volvulus FACT complex subunit SPT16 homolog 0.0462 0.0761 0.5272
Toxoplasma gondii methionine aminopeptidase 0.3659 0.8067 0.8067
Plasmodium vivax methionine aminopeptidase 1a, putative 0.3659 0.8067 0.8067
Plasmodium vivax proliferation-associated protein 2g4, putative 0.0462 0.0761 0.0761
Loa Loa (eye worm) hypothetical protein 0.0761 0.1444 0.1444
Echinococcus multilocularis xaa pro aminopeptidase 0.0462 0.0761 0.0761
Entamoeba histolytica Xaa-Pro dipeptidase, putative 0.0462 0.0761 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.3659 0.8067 0.8067
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.4505 1 1
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.4505 1 1
Echinococcus multilocularis methionyl aminopeptidase 2 0.0462 0.0761 0.0761
Plasmodium falciparum proliferation-associated protein 2g4, putative 0.0462 0.0761 0.0761
Onchocerca volvulus 0.0462 0.0761 0.5272
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0462 0.0761 0.0761
Echinococcus granulosus FACT complex subunit SPT16 0.0462 0.0761 0.0761
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0462 0.0761 0.0943
Onchocerca volvulus Dipeptidase C homolog 0.0462 0.0761 0.5272
Toxoplasma gondii proliferation-associated protein 2G4, putative 0.0462 0.0761 0.0761
Loa Loa (eye worm) serotonin transporter b 0.0761 0.1444 0.1444
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0462 0.0761 0.5
Mycobacterium ulcerans methionine aminopeptidase 0.3659 0.8067 1
Loa Loa (eye worm) hypothetical protein 0.0761 0.1444 0.1444
Echinococcus granulosus Proliferation associated protein 2G4 0.0462 0.0761 0.0761
Plasmodium vivax methionine aminopeptidase 2, putative 0.0462 0.0761 0.0761
Echinococcus granulosus Xaa Pro aminopeptidase 3 0.0462 0.0761 0.0761
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0462 0.0761 0.5272
Loa Loa (eye worm) hypothetical protein 0.0761 0.1444 0.1444
Brugia malayi initiation factor 2-associated protein. 0.0462 0.0761 0.0761
Brugia malayi metallopeptidase family M24 containing protein 0.0462 0.0761 0.0761
Plasmodium falciparum FACT complex subunit SPT16, putative 0.0462 0.0761 0.0761
Schistosoma mansoni aminopeptidase P1 (M24 family) 0.0462 0.0761 0.0943
Echinococcus granulosus methionine aminopeptidase type I 0.0462 0.0761 0.0761
Toxoplasma gondii hypothetical protein 0.0846 0.1638 0.1638
Loa Loa (eye worm) solute carrier family 6 member 4 0.0761 0.1444 0.1444
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.4505 1 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.4505 1 1
Plasmodium falciparum aminopeptidase P 0.0462 0.0761 0.0761
Loa Loa (eye worm) hypothetical protein 0.0462 0.0761 0.0761
Giardia lamblia Xaa-Pro dipeptidase 0.0462 0.0761 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0846 0.1638 0.0949
Schistosoma mansoni peptidase 0.0462 0.0761 0.0943
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0462 0.0761 0.5
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.4505 1 1
Echinococcus granulosus xaa Pro dipeptidase 0.0462 0.0761 0.0761
Plasmodium falciparum methionine aminopeptidase 2 0.0462 0.0761 0.0761
Chlamydia trachomatis aminopeptidase P 0.0462 0.0761 0.0943
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0462 0.0761 0.5
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.3659 0.8067 0.8067
Schistosoma mansoni Xaa-Pro dipeptidase (M24 family) 0.0462 0.0761 0.0943
Echinococcus multilocularis xaa Pro dipeptidase 0.0462 0.0761 0.0761
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0462 0.0761 0.0943
Echinococcus multilocularis serotonin transporter 0.0761 0.1444 0.1444
Trypanosoma brucei hypothetical protein, conserved 0.0846 0.1638 0.0949
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0462 0.0761 0.5
Entamoeba histolytica methionine aminopeptidase, putative 0.0462 0.0761 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0462 0.0761 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0462 0.0761 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0462 0.0761 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0462 0.0761 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0462 0.0761 0.5
Plasmodium falciparum HP12 protein homolog, putative 0.0846 0.1638 0.1638
Echinococcus granulosus xaa pro aminopeptidase 0.0462 0.0761 0.0761
Echinococcus multilocularis Proliferation associated protein 2G4 0.0462 0.0761 0.0761
Entamoeba histolytica peptidase, putative 0.0462 0.0761 0.5
Treponema pallidum sodium- and chloride- dependent transporter 0.0761 0.1444 0.0934
Schistosoma mansoni sodium/chloride dependent transporter 0.0761 0.1444 0.179
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0462 0.0761 0.5
Toxoplasma gondii peptidase D, putative 0.0462 0.0761 0.0761
Onchocerca volvulus 0.0761 0.1444 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.3659 0.8067 1
Brugia malayi metallopeptidase family M24 containing protein 0.0462 0.0761 0.0761
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0462 0.0761 0.5
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0462 0.0761 0.0943
Giardia lamblia Xaa-Pro dipeptidase 0.0462 0.0761 0.5
Toxoplasma gondii creatinase domain-containing protein 0.0462 0.0761 0.0761
Toxoplasma gondii methionine aminopeptidase 0.4505 1 1

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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