Detailed information for compound 1212007

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 379.449 | Formula: C18H22FN3O3S
  • H donors: 1 H acceptors: 4 LogP: 2.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@H](C(=C1CCCC1)F)C(c1onc(n1)c1ccc(cc1)S(=O)(=O)C)C
  • InChi: 1S/C18H22FN3O3S/c1-11(16(20)15(19)12-5-3-4-6-12)18-21-17(22-25-18)13-7-9-14(10-8-13)26(2,23)24/h7-11,16H,3-6,20H2,1-2H3/t11?,16-/m0/s1
  • InChiKey: ZCZMVYLLMXKMON-NBFOKTCDSA-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
Loa Loa (eye worm) prolyl oligopeptidase 0.0186 0.4197 0.4091
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0072 0.1049 0.25
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0144 0.3038 0.2367
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0144 0.3038 0.7239
Loa Loa (eye worm) hypothetical protein 0.0049 0.0433 0.0259
Echinococcus granulosus prolyl endopeptidase 0.0144 0.3038 0.7239
Echinococcus granulosus Dipeptidyl peptidase 9 0.0072 0.1049 0.25
Trypanosoma brucei prolyl endopeptidase 0.0144 0.3038 0.2367
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0045 0.0329 0.0784
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0186 0.4197 1
Leishmania major C-8 sterol isomerase-like protein 0.0397 1 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0072 0.1049 0.0186
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0072 0.1049 0.0186
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0065 0.088 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0072 0.1049 0.0186
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0072 0.1049 0.25
Trypanosoma cruzi prolyl endopeptidase 0.0144 0.3038 0.2367
Loa Loa (eye worm) hypothetical protein 0.0144 0.3038 0.2912
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0144 0.3038 0.7239
Loa Loa (eye worm) hypothetical protein 0.0044 0.0297 0.0121
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0186 0.4197 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0072 0.1049 0.0186
Loa Loa (eye worm) hypothetical protein 0.0397 1 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0397 1 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.004 0.0178 0.0104
Brugia malayi prolyl oligopeptidase family protein 0.0144 0.3038 0.2985
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0065 0.088 0.5
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0397 1 1
Echinococcus multilocularis prolyl endopeptidase 0.0144 0.3038 0.7239
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0117 0.2286 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0049 0.0433 0.1031
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0072 0.1049 0.0186
Brugia malayi prolyl oligopeptidase family protein 0.0072 0.1049 0.0981
Brugia malayi hypothetical protein 0.0044 0.0297 0.0224
Echinococcus granulosus metabotropic glutamate receptor 5 0.0049 0.0433 0.1031
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0186 0.4197 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.4661 0.4564
Toxoplasma gondii prolyl endopeptidase 0.0144 0.3038 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0186 0.4197 1
Brugia malayi prolyl oligopeptidase family protein 0.0186 0.4197 0.4153

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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