Detailed information for compound 1732595

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 676.769 | Formula: C36H36F4N6OS
  • H donors: 0 H acceptors: 3 LogP: 6.48 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1ccc(cc1)CSc1nc(=O)c2c(n1Cc1nnc(n1Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CN(C(C)C)C)CCC2
  • InChi: 1S/C36H36F4N6OS/c1-23(2)44(3)20-32-42-43-33(46(32)19-24-7-11-26(12-8-24)27-13-15-28(16-14-27)36(38,39)40)21-45-31-6-4-5-30(31)34(47)41-35(45)48-22-25-9-17-29(37)18-10-25/h7-18,23H,4-6,19-22H2,1-3H3
  • InChiKey: LGETZAUOUVGVPY-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
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0067 0.3626 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0077 0.425 0.4125
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0213 0.5
Mycobacterium ulcerans dehydrogenase 0.0014 0.0213 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0014 0.0213 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0014 0.0213 0.5
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0014 0.0213 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0067 0.3626 1
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0036 0.1645 1
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0213 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0014 0.0213 0.5
Brugia malayi Myb-like DNA-binding domain containing protein 0.0163 0.9697 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1947 0.1771
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0014 0.0213 0.5
Brugia malayi Blistered cuticle protein 3 0.0077 0.425 0.4256
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0014 0.0213 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0014 0.0213 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0014 0.0213 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0014 0.0213 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.3626 0.3488
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0014 0.0213 0.5
Onchocerca volvulus CoRest homolog 0.0168 1 1
Entamoeba histolytica hypothetical protein 0.001 0 0.5
Mycobacterium ulcerans oxidoreductase 0.0014 0.0213 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0014 0.0213 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0014 0.0213 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.3989 0.3858
Mycobacterium ulcerans monoamine oxidase 0.0014 0.0213 0.5
Treponema pallidum hypothetical protein 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0575 0.037
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0014 0.0213 0.5
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0036 0.1645 1
Leishmania major ferric reductase, putative 0.0036 0.1645 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0014 0.0213 0.5
Brugia malayi SWIRM domain containing protein 0.0073 0.3989 0.3981
Trypanosoma brucei ferric reductase transmembrane protein, putative 0.0036 0.1645 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0019 0.0575 0.0382
Onchocerca volvulus Dual oxidase homolog 0.0077 0.425 0.0434
Loa Loa (eye worm) hypothetical protein 0.0163 0.9697 0.9691
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0067 0.3626 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.3626 0.3488

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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