Detailed information for compound 621880

Basic information

Technical information
  • TDR Targets ID: 621880
  • Name: ZINC02459475
  • MW: 419.536 | Formula: C20H22FN3O2S2
  • H donors: 0 H acceptors: 2 LogP: 3.63 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCN(CC1)C(=O)CSc1nc2CCSc2c(=O)n1c1ccc(cc1)F
  • InChi: 1S/C20H22FN3O2S2/c1-13-6-9-23(10-7-13)17(25)12-28-20-22-16-8-11-27-18(16)19(26)24(20)15-4-2-14(21)3-5-15/h2-5,13H,6-12H2,1H3
  • InChiKey: RWBGHKSTNMHPIK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • EU-0022228

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
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0426 1 1
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0088 0.1889 0.1855
Toxoplasma gondii phosphorylase family protein 0.0088 0.1889 1
Echinococcus granulosus uridine phosphorylase 1 0.0088 0.1889 0.1852
Echinococcus multilocularis purine nucleoside phosphorylase 0.0426 1 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0426 1 1
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0088 0.1889 0.1889
Echinococcus granulosus purine nucleoside phosphorylase 0.0426 1 1
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.0011 0.0045 0.0045
Schistosoma mansoni purine nucleoside phosphorylase 0.0426 1 1
Brugia malayi uridine phosphorylase family protein 0.0088 0.1889 0.1886
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0088 0.1889 1
Leishmania major nucleoside phosphorylase-like protein 0.0088 0.1889 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0338 0.7882 0.7872
Leishmania major methylthioadenosine phosphorylase, putative 0.0088 0.1889 1
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0338 0.7882 0.7872
Echinococcus multilocularis purine nucleoside phosphorylase 0.0426 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0426 1 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0088 0.1889 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0426 1 1
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0088 0.1889 0.1852
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0088 0.1889 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.0088 0.1889 0.1889
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0088 0.1889 1
Schistosoma mansoni uridine phosphorylase 0.0088 0.1889 0.1889
Schistosoma mansoni ABC transporter 0.001 0.0003 0.0003
Schistosoma mansoni methylthioadenosine phosphorylase 0.0088 0.1889 0.1889
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0426 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0426 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0426 1 1
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0088 0.1889 0.2394
Echinococcus granulosus purine nucleoside phosphorylase 0.0426 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0426 1 1
Toxoplasma gondii Purine nucleoside phosphorylase 0.0088 0.1889 1
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0088 0.1889 1
Treponema pallidum pfs protein (pfs) 0.0088 0.1889 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0088 0.1889 1
Toxoplasma gondii phosphorylase family protein 0.0088 0.1889 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0426 1 1
Loa Loa (eye worm) uridine phosphorylase 0.0088 0.1889 0.2394
Echinococcus multilocularis purine nucleoside phosphorylase 0.0426 1 1
Giardia lamblia UPL-1 0.0088 0.1889 0.1855
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0426 1 1
Chlamydia trachomatis AMP nucleosidase 0.0088 0.1889 0.5
Loa Loa (eye worm) hypothetical protein 0.0338 0.7882 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0338 0.7882 0.7872
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0088 0.1889 0.5
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0088 0.1889 1
Plasmodium falciparum purine nucleoside phosphorylase 0.0088 0.1889 1
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0426 1 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0088 0.1889 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0088 0.1889 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0426 1 1
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0426 1 0.5
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0088 0.1889 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0088 0.1889 0.1889
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0088 0.1889 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.0088 0.1889 0.1889
Schistosoma mansoni uridine phosphorylase 0.0088 0.1889 0.1889
Mycobacterium tuberculosis Hypothetical protein 0.0088 0.1889 0.1889
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0088 0.1889 0.1855
Echinococcus granulosus methylthioadenosine phosphorylase 0.0088 0.1889 0.1852
Echinococcus granulosus purine nucleoside phosphorylase 0.0426 1 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0088 0.1889 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0426 1 1
Trypanosoma brucei uridine phosphorylase 0.0088 0.1889 1
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0088 0.1889 1
Brugia malayi MTAP 0.0088 0.1889 0.1886
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0088 0.1889 0.1852
Echinococcus multilocularis uridine phosphorylase 1 0.0088 0.1889 0.1852
Treponema pallidum uridine phosphorylase (udp) 0.0088 0.1889 0.5
Entamoeba histolytica hypothetical protein 0.0088 0.1889 1
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0088 0.1889 0.1852
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0426 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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