Detailed information for compound 2202759

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 277.125 | Formula: C14H19N3OS
  • H donors: 2 H acceptors: 3 LogP: 2.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 0
  • SMILES: OCCc1scc(c1C)Cc1cnc(nc1N)CC
  • InChi: InChI=1S/C14H19N3OS/c1-3-13-16-7-10(14(15)17-13)6-11-8-19-12(4-5-18)9(11)2/h7-8,18H,3-6H2,1-2H3,(H2,15,16,17)
  • InChiKey: HZKFRZPFRKYNHF-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
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0086 0.2437 0.3524
Mycobacterium ulcerans thymidylate synthase 0.0211 0.6916 1
Brugia malayi dihydrofolate reductase family protein 0.0086 0.2437 0.3524
Brugia malayi transketolase 0.0032 0.0515 0.0745
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0211 0.6916 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0086 0.2437 0.3524
Giardia lamblia Transketolase 0.0021 0.0091 0.5
Schistosoma mansoni transketolase 0.0032 0.0515 0.0745
Loa Loa (eye worm) dihydrofolate reductase 0.0086 0.2437 0.3524
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0086 0.2437 0.3524
Plasmodium falciparum transketolase 0.0021 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0032 0.0515 0.0745
Treponema pallidum transketolase 0.0021 0.0091 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0298 1 1
Trypanosoma cruzi transketolase, putative 0.0032 0.0515 0.0515
Entamoeba histolytica transketolase, putative 0.0032 0.0515 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0211 0.6916 1
Onchocerca volvulus 0.0211 0.6916 0.5
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0298 1 1
Brugia malayi thymidylate synthase 0.0211 0.6916 1
Entamoeba histolytica transketolase, putative 0.0032 0.0515 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0101 0.2951 0.2951
Trichomonas vaginalis transketolase, putative 0.0032 0.0515 0.1483
Echinococcus granulosus thymidylate synthase 0.0211 0.6916 1
Echinococcus granulosus transketolase 0.0032 0.0515 0.0745
Trypanosoma cruzi transketolase, putative 0.0032 0.0515 0.0515
Mycobacterium tuberculosis Hypothetical protein 0.0101 0.2951 0.4267
Chlamydia trachomatis dihydrofolate reductase 0.0086 0.2437 1
Brugia malayi Dihydrofolate reductase 0.0086 0.2437 0.3524
Echinococcus multilocularis dihydrofolate reductase 0.0086 0.2437 0.3524
Mycobacterium leprae Probable transketolase Tkt (TK) 0.0032 0.0515 0.0745
Chlamydia trachomatis transketolase 0.0032 0.0515 0.2114
Leishmania major transketolase 0.0032 0.0515 0.0515
Echinococcus multilocularis thymidylate synthase 0.0211 0.6916 1
Schistosoma mansoni transketolase 0.0032 0.0515 0.0745
Trypanosoma brucei transketolase, putative 0.0032 0.0515 0.0515
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0298 1 1
Brugia malayi hypothetical protein 0.0101 0.2951 0.4267
Echinococcus multilocularis transketolase 0.0032 0.0515 0.0745
Echinococcus granulosus transketolase 0.0032 0.0515 0.0745
Entamoeba histolytica transketolase, putative 0.0021 0.0091 0.1768
Mycobacterium tuberculosis Transketolase Tkt (TK) 0.0032 0.0515 0.0745
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.2951 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0211 0.6916 1
Wolbachia endosymbiont of Brugia malayi transketolase 0.0032 0.0515 1
Echinococcus granulosus dihydrofolate reductase 0.0086 0.2437 0.3524
Toxoplasma gondii transketolase 0.0032 0.0515 0.0515
Entamoeba histolytica transketolase, putative 0.0032 0.0515 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0298 1 1
Loa Loa (eye worm) thymidylate synthase 0.0211 0.6916 1
Mycobacterium ulcerans transketolase 0.0032 0.0515 0.0745
Schistosoma mansoni dihydrofolate reductase 0.0086 0.2437 0.3524
Plasmodium vivax transketolase, putative 0.0021 0.0091 0.0091
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0298 1 1
Echinococcus multilocularis transketolase 0.0032 0.0515 0.0745

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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