Detailed information for compound 1462729

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 395.261 | Formula: C15H14N3O8P
  • H donors: 4 H acceptors: 8 LogP: 0.57 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1c(COP(=O)(O)O)c(/N=N\c2ccc(cc2)C(=O)O)nc(c1O)C
  • InChi: 1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)/b18-17-
  • InChiKey: NPBWMMRUXMTIRC-ZCXUNETKSA-N  

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
Schistosoma mansoni fatty-acid amide hydrolase 0.0546 0.7238 0.7094
Trypanosoma cruzi amidase, putative 0.0066 0.0498 0.1033
Echinococcus granulosus p2X purinoceptor 4 0.0743 1 1
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0066 0.0498 0.1033
Plasmodium falciparum lysophospholipase, putative 0.0374 0.4818 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0546 0.7238 0.7094
Trichomonas vaginalis conserved hypothetical protein 0.0374 0.4818 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0374 0.4818 0.5
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0374 0.4818 0.5
Plasmodium falciparum lysophospholipase, putative 0.0374 0.4818 1
Schistosoma mansoni amidase 0.0546 0.7238 0.7094
Brugia malayi Amidase family protein 0.0066 0.0498 0.0687
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0374 0.4818 0.5
Brugia malayi amidase 0.0546 0.7238 1
Brugia malayi putative amidase 0.0066 0.0498 0.0687
Echinococcus multilocularis p2X purinoceptor 4 0.0743 1 1
Trypanosoma brucei monoglyceride lipase, putative 0.0374 0.4818 1
Mycobacterium ulcerans lysophospholipase 0.0374 0.4818 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0546 0.7238 0.7094
Trypanosoma cruzi amidase, putative 0.0066 0.0498 0.1033
Schistosoma mansoni P2X receptor subunit 0.0743 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0374 0.4818 0.5
Mycobacterium ulcerans hypothetical protein 0.0374 0.4818 1
Schistosoma mansoni P2X receptor subunit 0.0743 1 1
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0066 0.0498 0.1033
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0066 0.0498 0.5
Loa Loa (eye worm) amidase 0.0066 0.0498 0.0687
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0066 0.0498 0.5
Leishmania major hypothetical protein, conserved 0.0066 0.0498 0.1033
Mycobacterium tuberculosis Possible lysophospholipase 0.0374 0.4818 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0374 0.4818 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0374 0.4818 0.5
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0066 0.0498 0.1033
Echinococcus multilocularis p2X purinoceptor 4 0.0743 1 1
Brugia malayi Amidase family protein 0.0066 0.0498 0.0687
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0066 0.0498 0.5
Plasmodium falciparum lysophospholipase, putative 0.0374 0.4818 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0374 0.4818 1
Schistosoma mansoni P2X receptor subunit 0.041 0.5323 0.5078
Leishmania major monoglyceride lipase, putative 0.0374 0.4818 1
Loa Loa (eye worm) amidase 0.0066 0.0498 0.0687
Echinococcus multilocularis p2X purinoceptor 4 0.0743 1 1
Plasmodium vivax PST-A protein 0.0374 0.4818 1
Trypanosoma brucei monoglyceride lipase, putative 0.0374 0.4818 1
Schistosoma mansoni P2X receptor subunit 0.041 0.5323 0.5078
Toxoplasma gondii LsmAD domain-containing protein 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0546 0.7238 1
Echinococcus granulosus p2X purinoceptor 4 0.0743 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0374 0.4818 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0374 0.4818 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0546 0.7238 0.7094
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0374 0.4818 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0374 0.4818 0.5
Plasmodium falciparum esterase, putative 0.0374 0.4818 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0546 0.7238 0.7094

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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