Detailed information for compound 775751

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 440.55 | Formula: C26H33FN2O3
  • H donors: 2 H acceptors: 2 LogP: 2.97 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCC1CN(CCN1Cc1ccc(cc1F)OC)Cc1ccc(cc1)C#CC(O)(C)C
  • InChi: 1S/C26H33FN2O3/c1-26(2,31)12-10-20-4-6-21(7-5-20)17-28-13-14-29(23(19-28)11-15-30)18-22-8-9-24(32-3)16-25(22)27/h4-9,16,23,30-31H,11,13-15,17-19H2,1-3H3
  • InChiKey: OMKPMLSXWQPQRU-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
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0158 0.4345 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0104 0.2492 1
Entamoeba histolytica hypothetical protein 0.0038 0.0256 0.0092
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0324 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.207 0.207
Brugia malayi RNA, U transporter 1 0.0086 0.1906 0.3809
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0158 0.4345 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0091 0.207 0.207
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0158 0.4345 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0158 0.4345 1
Toxoplasma gondii hypothetical protein 0.0037 0.0212 0.0488
Plasmodium vivax protease, putative 0.0037 0.0212 0.0488
Onchocerca volvulus 0.0091 0.207 1
Schistosoma mansoni hypothetical protein 0.0324 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0158 0.4345 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0158 0.4345 0.4345
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0054 0.082 0.147
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0177 0.5003 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0158 0.4345 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0104 0.2492 0.2492
Toxoplasma gondii hypothetical protein 0.0054 0.082 0.1886
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0104 0.2492 0.4744
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0054 0.082 0.1886
Echinococcus multilocularis CAAX prenyl protease 2 0.0177 0.5003 0.5003
Trypanosoma brucei CAAX amino terminal protease, putative 0.0177 0.5003 1
Toxoplasma gondii hypothetical protein 0.0037 0.0212 0.0488
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0158 0.4345 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.207 0.207
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0256 0.0256
Echinococcus granulosus CAAX prenyl protease 2 0.0177 0.5003 0.5003
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0177 0.5003 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0256 0.0256
Entamoeba histolytica CAAX prenyl protease family 0.0177 0.5003 1
Echinococcus multilocularis snurportin 1 0.0324 1 1
Entamoeba histolytica hypothetical protein 0.0038 0.0256 0.0092
Brugia malayi CAAX amino terminal protease family protein 0.0177 0.5003 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0177 0.5003 0.5003
Plasmodium falciparum protease, putative 0.0037 0.0212 0.0488
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0177 0.5003 0.5003
Echinococcus granulosus peptidase Clp S14 family 0.0104 0.2492 0.2492
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0054 0.082 0.1886
Toxoplasma gondii CAAX amino terminal protease family protein 0.0037 0.0212 0.0488
Entamoeba histolytica hypothetical protein 0.0038 0.0256 0.0092
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0104 0.2492 1
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0177 0.5003 0.5
Brugia malayi Probable ClpP-like protease 0.0158 0.4345 0.8686
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0177 0.5003 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.0256 0.0092
Brugia malayi hypothetical protein 0.0038 0.0256 0.0512
Loa Loa (eye worm) hypothetical protein 0.0158 0.4345 0.4345
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0158 0.4345 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.5003 0.5003
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0158 0.4345 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0158 0.4345 0.4345
Schistosoma mansoni hypothetical protein 0.0038 0.0256 0.0256
Brugia malayi Trypsin family protein 0.0091 0.207 0.4139
Giardia lamblia Hypothetical protein 0.0177 0.5003 0.5
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0158 0.4345 0.4345
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0158 0.4345 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0256 0.0256
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0158 0.4345 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0091 0.207 0.207

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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