Detailed information for compound 825377

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 450.456 | Formula: C21H20F2N2O5S
  • H donors: 2 H acceptors: 4 LogP: 2.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=C(NC(=O)NC1c1cccc(c1)F)CS(=O)(=O)c1ccc(c(c1)C)F
  • InChi: 1S/C21H20F2N2O5S/c1-3-30-20(26)18-17(11-31(28,29)15-7-8-16(23)12(2)9-15)24-21(27)25-19(18)13-5-4-6-14(22)10-13/h4-10,19H,3,11H2,1-2H3,(H2,24,25,27)
  • InChiKey: SHONPVORMAXUQP-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
Onchocerca volvulus 0.0058 0.0774 1
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0033 0.0311 0.5141
Giardia lamblia Methionine aminopeptidase 0.0046 0.0547 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0049 0.0605 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0347 0.0783
Mycobacterium ulcerans methyltransferase 0.0058 0.0774 0.0478
Loa Loa (eye worm) O-methyltransferase 0.0058 0.0774 1
Mycobacterium tuberculosis Probable methyltransferase 0.0058 0.0774 0.0538
Onchocerca volvulus 0.0058 0.0774 1
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0033 0.0311 0.5141
Brugia malayi O-methyltransferase family protein 0.0058 0.0774 1
Schistosoma mansoni o-methyltransferase 0.0058 0.0774 1
Schistosoma mansoni o-methyltransferase 0.0058 0.0774 1
Brugia malayi O-methyltransferase family protein 0.0058 0.0774 1
Plasmodium falciparum methionine aminopeptidase 2 0.0046 0.0547 0.9034
Toxoplasma gondii methionine aminopeptidase 0.0033 0.0311 0.5141
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0046 0.0547 0.9034
Toxoplasma gondii methionine aminopeptidase 0.0049 0.0605 1
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0049 0.0605 1
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0049 0.0605 1
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0049 0.0605 1
Entamoeba histolytica methionine aminopeptidase, putative 0.0046 0.0547 1
Echinococcus granulosus methionyl aminopeptidase 2 0.0046 0.0547 0.7733
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0046 0.0547 0.5
Echinococcus multilocularis methionyl aminopeptidase 2 0.0046 0.0547 0.8012
Mycobacterium tuberculosis Probable catechol-O-methyltransferase 0.05 0.8932 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0774 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0049 0.0605 1
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0046 0.0547 0.5084
Plasmodium vivax methionine aminopeptidase 2, putative 0.0046 0.0547 0.9034
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0046 0.0547 0.9034
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0049 0.0605 1
Wolbachia endosymbiont of Brugia malayi O-methyltransferase 0.0058 0.0774 1
Leishmania major methionine aminopeptidase 2, putative 0.0046 0.0547 0.9034
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0046 0.0547 0.9034
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0049 0.0605 1
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0033 0.0311 0.5141
Brugia malayi O-methyltransferase family protein 0.0058 0.0774 1
Trypanosoma brucei methionine aminopeptidase, putative 0.0049 0.0605 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0046 0.0547 0.9034
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0049 0.0605 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0347 0.1233
Loa Loa (eye worm) methionine aminopeptidase type I 0.0049 0.0605 0.2565
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0046 0.0547 0.5
Treponema pallidum methionine aminopeptidase (map) 0.0033 0.0311 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0046 0.0547 0.5
Brugia malayi initiation factor 2-associated protein. 0.0046 0.0547 0.4666
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0046 0.0547 0.9034
Mycobacterium leprae PROBABLE METHYLTRANSFERASE 0.0058 0.0774 1
Schistosoma mansoni o-methyltransferase 0.0058 0.0774 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0049 0.0605 1
Chlamydia trachomatis methionine aminopeptidase 0.0033 0.0311 0.5
Schistosoma mansoni o-methyltransferase 0.0058 0.0774 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0046 0.0547 0.5
Schistosoma mansoni hypothetical protein 0.0035 0.0347 0.0783
Brugia malayi Methionine aminopeptidase protein type I 0.0049 0.0605 0.6035
Brugia malayi O-methyltransferase 0.0058 0.0774 1

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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