Detailed information for compound 321081

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 206.279 | Formula: C12H11FS
  • H donors: 0 H acceptors: 0 LogP: 4.16 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1scc(c1)c1ccc(cc1)F
  • InChi: 1S/C12H11FS/c1-2-12-7-10(8-14-12)9-3-5-11(13)6-4-9/h3-8H,2H2,1H3
  • InChiKey: BSINKRSDXFQCAI-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
Trypanosoma cruzi AMP deaminase, putative 0.0065 0.1244 1
Leishmania major AMP deaminase, putative,adenosine monophosphate deaminase-like protein 0.0065 0.1244 0.2254
Leishmania major hypothetical protein, conserved 0.0065 0.1244 0.2254
Loa Loa (eye worm) hypothetical protein 0.0134 0.3455 0.3327
Loa Loa (eye worm) hypothetical protein 0.0134 0.3455 0.3327
Treponema pallidum adenosine deaminase 0.0199 0.5521 0.5
Trypanosoma brucei AMP deaminase, putative 0.0065 0.1244 1
Schistosoma mansoni adenosine deaminase-related 0.0199 0.5521 0.5433
Echinococcus multilocularis adenosine deaminase 0.0199 0.5521 0.5433
Echinococcus granulosus adenosine deaminase 0.0199 0.5521 0.5433
Loa Loa (eye worm) hypothetical protein 0.0065 0.1244 0.1073
Trypanosoma cruzi AMP deaminase 2, putative 0.0065 0.1244 1
Trypanosoma brucei AMP deaminase, putative 0.0065 0.1244 1
Entamoeba histolytica AMP deaminase, putative 0.0065 0.1244 0.2254
Leishmania major AMP deaminase, putative,amp deaminase-like protein 0.0065 0.1244 0.2254
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0199 0.5521 0.5
Trypanosoma brucei AMP deaminase, putative 0.0065 0.1244 1
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0199 0.5521 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.034 1 1
Brugia malayi adenosine monophosphate deaminase 0.0065 0.1244 0.1975
Schistosoma mansoni hypothetical protein 0.034 1 1
Plasmodium falciparum AMP deaminase, putative 0.0065 0.1244 0.1975
Entamoeba histolytica adenosine deaminase, putative 0.0199 0.5521 1
Loa Loa (eye worm) hypothetical protein 0.0199 0.5521 0.5433
Echinococcus multilocularis AMP deaminase 2 0.0065 0.1244 0.1073
Plasmodium falciparum adenosine deaminase 0.0199 0.5521 1
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0065 0.1244 1
Entamoeba histolytica AMP deaminase, putative 0.0065 0.1244 0.2254
Trypanosoma cruzi AMP deaminase, putative 0.0065 0.1244 1
Brugia malayi Adenosine/AMP deaminase family protein 0.0199 0.5521 1
Trypanosoma cruzi AMP deaminase, putative 0.0065 0.1244 1
Plasmodium vivax adenosine deaminase, putative 0.0199 0.5521 1
Onchocerca volvulus Adenosine deaminase homolog 0.0199 0.5521 1
Toxoplasma gondii AMP deaminase 0.0065 0.1244 0.1975
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0065 0.1244 1
Schistosoma mansoni AMP deaminase 0.0065 0.1244 0.1073
Echinococcus granulosus AMP deaminase 2 0.0065 0.1244 0.1073
Entamoeba histolytica adenosine deaminase, putative 0.0199 0.5521 1
Echinococcus multilocularis snurportin 1 0.034 1 1
Leishmania major adenine aminohydrolase 0.0199 0.5521 1
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0199 0.5521 1
Trypanosoma cruzi AMP deaminase, putative 0.0065 0.1244 1
Brugia malayi RNA, U transporter 1 0.0091 0.2061 0.3507
Schistosoma mansoni adenosine deaminase 0.0199 0.5521 0.5433
Loa Loa (eye worm) hypothetical protein 0.0134 0.3455 0.3327
Trichomonas vaginalis adenosine deaminase, putative 0.0199 0.5521 1
Trypanosoma cruzi AMP deaminase, putative 0.0065 0.1244 1
Leishmania major AMP deaminase, putative 0.0065 0.1244 0.2254
Loa Loa (eye worm) hypothetical protein 0.0134 0.3455 0.3327
Leishmania major adenosine monophosphate deaminase, putative,AMP deaminase, putative 0.0065 0.1244 0.2254
Mycobacterium ulcerans adenosine deaminase 0.0199 0.5521 0.5
Trichomonas vaginalis adenosine deaminase, putative 0.0199 0.5521 1
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0065 0.1244 1
Plasmodium vivax adenosine/AMP deaminase, putative 0.0065 0.1244 0.1975
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0199 0.5521 1
Loa Loa (eye worm) AMP deaminase 0.0065 0.1244 0.1073

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) NA 0 uM In vitro antihelmintic activity against Haemonchus contortus after 24 h of incubation using larval mobility assay; NA denotes <50% inhibition of mortality at 100 ppm ChEMBL. 15225722

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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