Detailed information for compound 1835778

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 212.355 | Formula: C11H20N2S
  • H donors: 1 H acceptors: 0 LogP: 1.86 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCNCCc1cccs1)C
  • InChi: 1S/C11H20N2S/c1-13(2)9-4-7-12-8-6-11-5-3-10-14-11/h3,5,10,12H,4,6-9H2,1-2H3
  • InChiKey: GVRCAZDRHYQROM-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
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0543 0.0543
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0251 0.5968 0.5968
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1011 0.1011
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0001 0.0001
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0001 0.0001
Loa Loa (eye worm) MH2 domain-containing protein 0.0138 0.3073 0.3073
Brugia malayi hypothetical protein 0.0059 0.1048 0.1048
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.1011 0.1011
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0001 0.0001
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0001 0.0001
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0251 0.5968 0.5968
Echinococcus granulosus dihydrofolate reductase 0.0249 0.593 0.593
Onchocerca volvulus 0.0124 0.2719 0.5
Schistosoma mansoni hypothetical protein 0.0039 0.0543 0.0543
Loa Loa (eye worm) dihydrofolate reductase 0.0249 0.593 0.593
Loa Loa (eye worm) thymidylate synthase 0.0124 0.2719 0.2719
Brugia malayi Dihydrofolate reductase 0.0249 0.593 0.593
Brugia malayi MH2 domain containing protein 0.0138 0.3073 0.3073
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0249 0.593 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1011 0.1011
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0001 0.0001
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0001 0.0001
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0249 0.593 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0251 0.5968 0.5968
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0001 0.0001
Schistosoma mansoni dihydrofolate reductase 0.0249 0.593 0.593
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0249 0.593 1
Mycobacterium tuberculosis Hypothetical protein 0.0059 0.1048 0.1767
Echinococcus multilocularis thymidylate synthase 0.0124 0.2719 0.2719
Chlamydia trachomatis dihydrofolate reductase 0.0249 0.593 0.5
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0124 0.2719 0.2719
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0124 0.2719 0.4585
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0251 0.5968 1
Loa Loa (eye worm) transcription factor SMAD2 0.0138 0.3073 0.3073
Brugia malayi isocitrate dehydrogenase 0.0018 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0058 0.1011 0.1011
Brugia malayi thymidylate synthase 0.0124 0.2719 0.2719
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0251 0.5968 0.5968
Echinococcus multilocularis dihydrofolate reductase 0.0249 0.593 0.593
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0059 0.1048 0.1048
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0001 0.0001
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0251 0.5968 1
Brugia malayi dihydrofolate reductase family protein 0.0249 0.593 0.593
Loa Loa (eye worm) hypothetical protein 0.0039 0.0543 0.0543
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0001 0.0001
Echinococcus granulosus thymidylate synthase 0.0124 0.2719 0.2719

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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