Detailed information for compound 1025617

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.441 | Formula: C22H25F3N2O2
  • H donors: 1 H acceptors: 0 LogP: 4.26 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(c1cccc(c1)CNCC1CCN(CC1)Cc1ccc2c(c1)OCO2)(F)F
  • InChi: 1S/C22H25F3N2O2/c23-22(24,25)19-3-1-2-17(10-19)13-26-12-16-6-8-27(9-7-16)14-18-4-5-20-21(11-18)29-15-28-20/h1-5,10-11,16,26H,6-9,12-15H2
  • InChiKey: FKDYFUCVXOPMNP-UHFFFAOYSA-N  

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
Echinococcus multilocularis muscleblind protein 1 0.0156 0.8791 0.8791
Echinococcus granulosus cathepsin L cysteine protease 0.0009 0.0031 0.0031
Entamoeba histolytica cysteine proteinase, putative 0.0012 0.0191 0.0409
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.012 0.0137
Echinococcus multilocularis cysteine protease 0.0018 0.0536 0.0536
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.012 0.0137
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0536 0.8031
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.066 0.5
Brugia malayi cathepsin L-like precursor 0.0012 0.0191 0.0218
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0536 0.0536
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0536 0.8031
Schistosoma mansoni cathepsin F (C01 family) 0.0012 0.0191 0.0191
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.012 0.0137
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.3464 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0536 0.061
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.066 0.16
Schistosoma mansoni coup transcription factor 0.0011 0.012 0.012
Echinococcus granulosus cathepsin L 0.0009 0.0031 0.0031
Echinococcus granulosus cysteine protease 0.0009 0.0031 0.0031
Schistosoma mansoni nuclear hormone receptor 0.0011 0.012 0.012
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0536 0.061
Entamoeba histolytica hypothetical protein 0.0075 0.3964 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0536 0.8031
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.012 0.012
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.066 0.1832
Onchocerca volvulus 0.0018 0.0536 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.012 0.012
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0536 0.0536
Echinococcus granulosus cathepsin l1 0.0012 0.0191 0.0191
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.012 0.012
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.012 0.012
Leishmania major cathepsin L-like protease 0.0067 0.3464 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.012 0.0137
Plasmodium vivax vivapain-2 0.0018 0.0536 0.8031
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.3964 0.3964
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.012 0.012
Brugia malayi Cathepsin L-like precursor 0.0018 0.0536 0.061
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0009 0.0031 0.0031
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0536 0.8031
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.3464 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.3464 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.066 0.0751
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0061 0.312 0.8997
Echinococcus granulosus cathepsin l1 0.0018 0.0536 0.0536
Echinococcus multilocularis muscleblind protein 0.0156 0.8791 0.8791
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0536 0.8031
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.3464 1
Onchocerca volvulus 0.0018 0.0536 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0536 0.8031
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0536 1
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0536 0.1285
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.012 0.0137
Loa Loa (eye worm) hypothetical protein 0.0156 0.8791 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.012 0.0137
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.012 0.012
Brugia malayi steroid hormone receptor 0.0011 0.012 0.0137
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.012 0.012
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.0156 0.8791 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0536 0.8031
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.012 0.012
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.3464 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.3464 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0018 0.0536 0.8031
Onchocerca volvulus 0.0018 0.0536 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.012 0.012
Trypanosoma cruzi cruzipain precursor, putative 0.0067 0.3464 1
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.3464 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.012 0.0137
Brugia malayi MH2 domain containing protein 0.0125 0.6924 0.7876
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.012 0.012
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0536 0.8031
Loa Loa (eye worm) hypothetical protein 0.0012 0.0191 0.0218
Brugia malayi nuclear receptor NHR-88 0.0011 0.012 0.0137
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.066 0.1832
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0536 0.8031
Brugia malayi ecdysteroid receptor 0.0011 0.012 0.0137
Trichomonas vaginalis ap endonuclease, putative 0.002 0.066 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.066 0.066
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.012 0.012
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0536 0.8031
Brugia malayi nuclear hormone receptor 0.0011 0.012 0.0137
Loa Loa (eye worm) hypothetical protein 0.0012 0.0191 0.0218
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0536 0.1472
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0536 0.8031
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.2615 0.7525
Schistosoma mansoni ap endonuclease 0.002 0.066 0.066
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.3464 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0536 0.8031
Brugia malayi Cathepsin L-like precursor 0.0018 0.0536 0.061
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0536 0.8031
Onchocerca volvulus Cathepsin F homolog 0.0018 0.0536 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.012 0.0137
Echinococcus multilocularis cysteine protease 0.0018 0.0536 0.0536
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.3464 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.012 0.012
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0536 0.8031
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0536 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.012 0.012
Toxoplasma gondii exonuclease III APE 0.002 0.066 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0536 0.0536
Loa Loa (eye worm) hypothetical protein 0.0011 0.012 0.0137
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0536 0.0536
Schistosoma mansoni ap endonuclease 0.002 0.066 0.066
Brugia malayi Papain family cysteine protease containing protein 0.0009 0.0031 0.0035
Onchocerca volvulus 0.0012 0.0191 0.1709
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.012 0.0137
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.3964 0.3964
Loa Loa (eye worm) ctsf protein 0.0018 0.0536 0.061
Brugia malayi Cathepsin L-like precursor 0.0018 0.0536 0.061
Schistosoma mansoni hypothetical protein 0.0177 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.012 0.012
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0536 0.8031
Brugia malayi Cathepsin L-like cysteine proteinase 0.0012 0.0191 0.0218
Echinococcus multilocularis geminin 0.0177 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0536 0.061
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.066 0.1832
Loa Loa (eye worm) cysteine protease 0.0018 0.0536 0.061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.012 0.0137
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.3464 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0536 0.8031
Entamoeba histolytica hypothetical protein 0.0075 0.3964 1
Brugia malayi Muscleblind-like protein 0.0156 0.8791 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0018 0.0536 0.8031
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.012 0.012
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.012 0.0137
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.066 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0536 0.0536
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0536 0.0536
Loa Loa (eye worm) hypothetical protein 0.0011 0.012 0.0137
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.012 0.0137
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.066 0.0423
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0012 0.0191 0.2555
Onchocerca volvulus 0.0018 0.0536 1
Entamoeba histolytica hypothetical protein 0.0075 0.3964 1
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.012 0.0137
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.012 0.012
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0009 0.0031 0.0031
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.066 0.5
Echinococcus multilocularis cathepsin L 0.0009 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0011 0.012 0.0137
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.012 0.0137
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.012 0.0137
Trichomonas vaginalis ap endonuclease, putative 0.002 0.066 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.012 0.012
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.012 0.0137
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.012 0.0137
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0536 0.8031
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.6924 0.7876
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.3464 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.3464 1
Schistosoma mansoni hypothetical protein 0.0177 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.066 0.5
Onchocerca volvulus 0.0018 0.0536 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.012 0.0137
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0536 0.8031
Onchocerca volvulus 0.0018 0.0536 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.012 0.0137
Leishmania major cathepsin L-like protease 0.0067 0.3464 1
Schistosoma mansoni thyroid hormone receptor 0.0011 0.012 0.012
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.012 0.0137
Loa Loa (eye worm) hypothetical protein 0.0012 0.0191 0.0218
Entamoeba histolytica hypothetical protein 0.0075 0.3964 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0009 0.0031 0.0031
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0536 0.8031
Brugia malayi Cathepsin L-like precursor 0.0012 0.0191 0.0218
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0536 0.8031
Schistosoma mansoni thyroid hormone receptor 0.0011 0.012 0.012
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.012 0.012
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.012 0.012
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0012 0.0191 0.2555
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.066 0.5
Entamoeba histolytica cysteine protease, putative 0.0018 0.0536 0.1285
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.012 0.012
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.012 0.012
Brugia malayi hypothetical protein 0.0075 0.3964 0.4509
Loa Loa (eye worm) hypothetical protein 0.0011 0.012 0.0137
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0536 0.8031
Loa Loa (eye worm) hypothetical protein 0.0018 0.0536 0.061
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0536 0.0536
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0536 0.8031
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0536 0.061
Loa Loa (eye worm) fibroinase 0.0018 0.0536 0.061
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0536 0.8031
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.3464 1
Echinococcus granulosus FTZ F1 alpha 0.0011 0.012 0.012
Plasmodium falciparum cysteine proteinase falcipain 3 0.0018 0.0536 0.8031
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.012 0.0137
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0536 0.8031
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.066 1
Brugia malayi Papain family cysteine protease containing protein 0.0009 0.0031 0.0035
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.6924 0.7876
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.3964 0.3964
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.012 0.0137
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.012 0.012
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0536 0.8031
Echinococcus granulosus muscleblind protein 0.0156 0.8791 0.8791
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.0011 0.012 0.0137
Brugia malayi Cathepsin L-like precursor 0.0018 0.0536 0.061
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.012 0.0137
Schistosoma mansoni hypothetical protein 0.0075 0.3964 0.3964
Onchocerca volvulus 0.0018 0.0536 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.066 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.066 0.0751
Brugia malayi Cathepsin L-like precursor 0.0018 0.0536 0.061
Plasmodium vivax vivapain-2 0.0018 0.0536 0.8031
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.0011 0.012 0.0137
Brugia malayi Cathepsin L-like precursor 0.0012 0.0191 0.0218
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0536 0.1285
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.012 0.0137
Leishmania major cathepsin L-like protease 0.0067 0.3464 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.066 0.066
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.012 0.012
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.3464 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.012 0.0137
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0536 0.0536
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.012 0.0137

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.