Detailed information for compound 1774411

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 468.573 | Formula: C26H24N6OS
  • H donors: 2 H acceptors: 3 LogP: 4.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(n1)cccc2)Nc1cccc(c1)c1cn2c(n1)scc2CN1CCNCC1
  • InChi: 1S/C26H24N6OS/c33-25(23-9-8-18-4-1-2-7-22(18)29-23)28-20-6-3-5-19(14-20)24-16-32-21(17-34-26(32)30-24)15-31-12-10-27-11-13-31/h1-9,14,16-17,27H,10-13,15H2,(H,28,33)
  • InChiKey: VCEHKMAGNGYJNG-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 ulcerans oxidoreductase 0.0031 0.0494 0.5
Giardia lamblia hypothetical protein 0.0013 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0494 0.5
Schistosoma mansoni amine oxidase 0.0031 0.0494 0.1295
Leishmania major UDP-galactopyranose mutase 0.0031 0.0494 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0031 0.0494 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0031 0.0494 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0031 0.0494 0.1295
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0031 0.0494 0.5
Loa Loa (eye worm) hypothetical protein 0.0165 0.4161 0.4161
Brugia malayi Myb-like DNA-binding domain containing protein 0.0368 0.9706 1
Entamoeba histolytica SWIRM domain protein 0.0013 0 0.5
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0152 0.3809 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.3809 0.3809
Plasmodium falciparum protoporphyrinogen oxidase 0.0031 0.0494 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.0846 0.0845
Brugia malayi SWIRM domain containing protein 0.0165 0.4161 0.4287
Onchocerca volvulus 0.0165 0.4161 0.1798
Brugia malayi amine oxidase, flavin-containing family protein 0.0044 0.0846 0.0871
Echinococcus multilocularis protoporphyrinogen oxidase 0.0031 0.0494 0.1295
Loa Loa (eye worm) hypothetical protein 0.0118 0.2882 0.2882
Entamoeba histolytica SWIRM domain protein 0.0013 0 0.5
Brugia malayi hypothetical protein 0.0118 0.2882 0.2969
Chlamydia trachomatis protoporphyrinogen oxidase 0.0031 0.0494 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0031 0.0494 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0031 0.0494 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0152 0.3809 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0031 0.0494 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0031 0.0494 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0494 0.0493
Trichomonas vaginalis conserved hypothetical protein 0.0013 0 0.5
Schistosoma mansoni amine oxidase 0.0031 0.0494 0.1295
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0224 0.5761 0.5761
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0152 0.3809 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0031 0.0494 1
Onchocerca volvulus CoRest homolog 0.0379 1 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0031 0.0494 0.1295
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0494 0.5
Entamoeba histolytica hypothetical protein 0.0013 0 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0031 0.0494 0.5
Loa Loa (eye worm) hypothetical protein 0.0152 0.3809 0.3809
Loa Loa (eye worm) hypothetical protein 0.0031 0.0494 0.0493
Trypanosoma cruzi UDP-galactopyranose mutase 0.0031 0.0494 0.5
Mycobacterium ulcerans dehydrogenase 0.0031 0.0494 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0013 0 0.5
Echinococcus multilocularis 0.0031 0.0494 0.1295
Brugia malayi hypothetical protein 0.0031 0.0494 0.0508
Loa Loa (eye worm) hypothetical protein 0.0368 0.9706 0.9706
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0031 0.0494 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0031 0.0494 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0031 0.0494 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0031 0.0494 0.5
Mycobacterium ulcerans monoamine oxidase 0.0031 0.0494 0.5
Loa Loa (eye worm) hypothetical protein 0.0118 0.2882 0.2882
Brugia malayi follicle stimulating hormone receptor 0.0224 0.5761 0.5936

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 140 % Activation of human recombinant SIRT1 at 10 uM preincubated for 60 mins prior to substrate addition measured after 60 mins by fluorescence assay ChEMBL. 23876989

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

1 literature reference was collected for this gene.

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