Detailed information for compound 895694

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 436.527 | Formula: C23H24N4O3S
  • H donors: 1 H acceptors: 5 LogP: 3.1 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1nnc(s1)NC(=O)C(N1C(=O)C2C(C1=O)C1CC2C=C1)Cc1ccccc1)C
  • InChi: 1S/C23H24N4O3S/c1-12(2)20-25-26-23(31-20)24-19(28)16(10-13-6-4-3-5-7-13)27-21(29)17-14-8-9-15(11-14)18(17)22(27)30/h3-9,12,14-18H,10-11H2,1-2H3,(H,24,26,28)
  • InChiKey: YAKIRSNUXXPXIR-UHFFFAOYSA-N  


Substructure search Similarity search

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
Plasmodium vivax adenosine deaminase, putative 0.0258 0.8056 1
Echinococcus multilocularis p2X purinoceptor 4 0.03 1 1
Loa Loa (eye worm) hypothetical protein 0.0174 0.4164 0.5169
Trypanosoma cruzi AMP deaminase, putative 0.0084 0 0.5
Treponema pallidum adenosine deaminase 0.0258 0.8056 0.5
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0258 0.8056 1
Brugia malayi Adenosine/AMP deaminase family protein 0.0258 0.8056 1
Trypanosoma cruzi AMP deaminase 2, putative 0.0084 0 0.5
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0258 0.8056 1
Echinococcus granulosus adenosine deaminase 0.0258 0.8056 0.8056
Schistosoma mansoni P2X receptor subunit 0.03 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0084 0 0.5
Echinococcus granulosus p2X purinoceptor 4 0.03 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0091 0.0312 0.0388
Trichomonas vaginalis adenosine deaminase, putative 0.0258 0.8056 0.5
Echinococcus multilocularis p2X purinoceptor 4 0.03 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.0258 0.8056 0.5
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0084 0 0.5
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0258 0.8056 0.5
Loa Loa (eye worm) hypothetical protein 0.0174 0.4164 0.5169
Schistosoma mansoni P2X receptor subunit 0.0149 0.2997 0.2997
Mycobacterium ulcerans adenosine deaminase 0.0258 0.8056 0.5
Plasmodium falciparum adenosine deaminase 0.0258 0.8056 1
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
Onchocerca volvulus Adenosine deaminase homolog 0.0258 0.8056 1
Echinococcus granulosus p2X purinoceptor 4 0.03 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0084 0 0.5
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0084 0 0.5
Entamoeba histolytica adenosine deaminase, putative 0.0258 0.8056 1
Schistosoma mansoni P2X receptor subunit 0.0149 0.2997 0.2997
Loa Loa (eye worm) hypothetical protein 0.0174 0.4164 0.5169
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0084 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0174 0.4164 0.5169
Trypanosoma cruzi AMP deaminase, putative 0.0084 0 0.5
Entamoeba histolytica adenosine deaminase, putative 0.0258 0.8056 1
Loa Loa (eye worm) hypothetical protein 0.0258 0.8056 1
Brugia malayi Cytochrome P450 family protein 0.0091 0.0312 0.0388
Trypanosoma brucei AMP deaminase, putative 0.0084 0 0.5
Leishmania major adenine aminohydrolase 0.0258 0.8056 1
Trypanosoma cruzi AMP deaminase, putative 0.0084 0 0.5
Echinococcus multilocularis adenosine deaminase 0.0258 0.8056 0.8056
Trypanosoma brucei AMP deaminase, putative 0.0084 0 0.5
Echinococcus multilocularis p2X purinoceptor 4 0.03 1 1
Schistosoma mansoni adenosine deaminase 0.0258 0.8056 0.8056
Trypanosoma brucei AMP deaminase, putative 0.0084 0 0.5
Schistosoma mansoni P2X receptor subunit 0.03 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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