Detailed information for compound 1041138

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 449.608 | Formula: C26H31N3O2S
  • H donors: 2 H acceptors: 2 LogP: 3.97 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC(CC1)NCc1cccc(c1)c1cccc(c1)S(=O)(=O)NCc1ccccc1
  • InChi: 1S/C26H31N3O2S/c1-29-15-13-25(14-16-29)27-19-22-9-5-10-23(17-22)24-11-6-12-26(18-24)32(30,31)28-20-21-7-3-2-4-8-21/h2-12,17-18,25,27-28H,13-16,19-20H2,1H3
  • InChiKey: SISFAEMTKGVYHB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 intermediate filament protein 0.0028 0.294 0.2767
Leishmania major cytochrome p450-like protein 0.0024 0.2086 0.1892
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.5041 0.5041
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0063 1 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.5041 1
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0063 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.9903 0.9903
Echinococcus multilocularis musashi 0.0028 0.294 0.294
Loa Loa (eye worm) hypothetical protein 0.0028 0.2836 0.2836
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0063 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.294 0.2767
Giardia lamblia Kinase, CMGC CLK 0.0063 1 0.5
Loa Loa (eye worm) intermediate filament protein 0.0028 0.294 0.294
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0063 1 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.5041 0.5
Schistosoma mansoni inositol monophosphatase 0.0039 0.5041 0.4919
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.2086 0.1892
Leishmania major protein kinase, putative 0.0063 1 1
Brugia malayi Cytochrome P450 family protein 0.0024 0.2086 0.1892
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0063 1 1
Echinococcus granulosus hypothetical protein 0.0063 0.9903 0.9903
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.294 0.294
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0302 0.0064
Echinococcus granulosus intermediate filament protein 0.0028 0.294 0.294
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.4225 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.5041 0.4919
Echinococcus multilocularis dual specificity protein kinase clk2 0.0063 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.2086 0.2086
Echinococcus granulosus lamin dm0 0.0028 0.294 0.294
Schistosoma mansoni serine/threonine protein kinase 0.0063 1 1
Loa Loa (eye worm) CYP4Cod1 0.0024 0.2086 0.2086
Echinococcus multilocularis lamin dm0 0.0028 0.294 0.294
Schistosoma mansoni lamin 0.0028 0.294 0.2767
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0302 0.0302
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0063 1 1
Echinococcus multilocularis 0.0015 0.024 0.024
Loa Loa (eye worm) hypothetical protein 0.0028 0.294 0.294
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.5041 0.4919
Echinococcus multilocularis 0.0063 0.9903 0.9903
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.5041 0.5
Brugia malayi Cytochrome P450 family protein 0.0035 0.4261 0.412
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.2086 0.2086
Schistosoma mansoni lamin 0.0028 0.294 0.2767
Schistosoma mansoni serine/threonine protein kinase 0.0063 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0035 0.4261 0.4261
Brugia malayi Cytochrome P450 family protein 0.0024 0.2086 0.1892
Loa Loa (eye worm) inositol-1 0.0039 0.5041 0.5041
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.5041 0.4919
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0063 1 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0063 1 1
Onchocerca volvulus 0.0028 0.294 0.5
Brugia malayi Inositol-1 0.0039 0.5041 0.4919
Schistosoma mansoni intermediate filament proteins 0.0028 0.294 0.2767
Echinococcus granulosus lamin 0.0028 0.294 0.294
Echinococcus multilocularis lamin 0.0028 0.294 0.294
Plasmodium falciparum protein serine/threonine kinase-1 0.0063 1 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.4225 1
Plasmodium vivax serine/threonine kinase-1, putative 0.0063 1 0.5
Echinococcus granulosus cytochrome P450 2K1 0.0015 0.024 0.024
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.5041 0.5041
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.5041 0.4919
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.5041 0.4919
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.2086 0.1892
Trichomonas vaginalis CMGC family protein kinase 0.0063 1 1
Leishmania major protein kinase, putative 0.0063 1 1
Schistosoma mansoni inositol monophosphatase 0.0039 0.5041 0.4919
Echinococcus granulosus dual specificity protein kinase clk2 0.0063 1 1
Onchocerca volvulus 0.0028 0.294 0.5
Trypanosoma brucei cytochrome P450, putative 0.0024 0.2086 0.1892
Loa Loa (eye worm) cytochrome P450 0.0015 0.024 0.024
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0024 0.2086 0.3846

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.