Detailed information for compound 895930

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.5 | Formula: C22H22N4O3S
  • H donors: 1 H acceptors: 5 LogP: 2.77 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nnc(s1)NC(=O)C(N1C(=O)C2C(C1=O)C1CC2C=C1)Cc1ccccc1
  • InChi: 1S/C22H22N4O3S/c1-2-16-24-25-22(30-16)23-19(27)15(10-12-6-4-3-5-7-12)26-20(28)17-13-8-9-14(11-13)18(17)21(26)29/h3-9,13-15,17-18H,2,10-11H2,1H3,(H,23,25,27)
  • InChiKey: DMRYLTWVEWOYQR-UHFFFAOYSA-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
Entamoeba histolytica adenosine deaminase, putative 0.0258 0.8056 1
Trypanosoma cruzi AMP deaminase, putative 0.0084 0 0.5
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0084 0 0.5
Trypanosoma brucei AMP deaminase, putative 0.0084 0 0.5
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0258 0.8056 0.5
Echinococcus granulosus adenosine deaminase 0.0258 0.8056 0.8056
Brugia malayi Adenosine/AMP deaminase family protein 0.0258 0.8056 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.4164 0.5169
Entamoeba histolytica adenosine deaminase, putative 0.0258 0.8056 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.4164 0.5169
Trichomonas vaginalis adenosine deaminase, putative 0.0258 0.8056 0.5
Trypanosoma brucei AMP deaminase, putative 0.0084 0 0.5
Echinococcus granulosus p2X purinoceptor 4 0.03 1 1
Schistosoma mansoni P2X receptor subunit 0.03 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0084 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0258 0.8056 1
Plasmodium falciparum adenosine deaminase 0.0258 0.8056 1
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0258 0.8056 1
Trypanosoma brucei AMP deaminase, putative 0.0084 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0091 0.0312 0.0388
Echinococcus multilocularis p2X purinoceptor 4 0.03 1 1
Echinococcus multilocularis p2X purinoceptor 4 0.03 1 1
Plasmodium vivax adenosine deaminase, putative 0.0258 0.8056 1
Trichomonas vaginalis adenosine deaminase, putative 0.0258 0.8056 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0084 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0174 0.4164 0.5169
Mycobacterium ulcerans adenosine deaminase 0.0258 0.8056 0.5
Schistosoma mansoni P2X receptor subunit 0.03 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0084 0 0.5
Echinococcus multilocularis p2X purinoceptor 4 0.03 1 1
Echinococcus multilocularis adenosine deaminase 0.0258 0.8056 0.8056
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0258 0.8056 1
Schistosoma mansoni adenosine deaminase 0.0258 0.8056 0.8056
Treponema pallidum adenosine deaminase 0.0258 0.8056 0.5
Leishmania major adenine aminohydrolase 0.0258 0.8056 1
Trypanosoma cruzi AMP deaminase, putative 0.0084 0 0.5
Schistosoma mansoni P2X receptor subunit 0.0149 0.2997 0.2997
Loa Loa (eye worm) hypothetical protein 0.0174 0.4164 0.5169
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0084 0 0.5
Schistosoma mansoni P2X receptor subunit 0.0149 0.2997 0.2997
Echinococcus granulosus p2X purinoceptor 4 0.03 1 1
Onchocerca volvulus Adenosine deaminase homolog 0.0258 0.8056 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0091 0.0312 0.0388
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0084 0 0.5
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0258 0.8056 0.5
Schistosoma mansoni adenosine deaminase-related 0.0258 0.8056 0.8056
Trypanosoma cruzi AMP deaminase 2, putative 0.0084 0 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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