Detailed information for compound 2075312

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 293.287 | Formula: C15H14F3N3
  • H donors: 1 H acceptors: 2 LogP: 2.26 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(c1ccc(cc1)c1cnc(cn1)C1CCCN1)(F)F
  • InChi: 1S/C15H14F3N3/c16-15(17,18)11-5-3-10(4-6-11)13-8-21-14(9-20-13)12-2-1-7-19-12/h3-6,8-9,12,19H,1-2,7H2
  • InChiKey: GVRTYUCUVNBLJP-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
Entamoeba histolytica cysteine proteinase 2 0.0086 0.0339 0.0356
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0167 0.1761 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0093 0.0459 0.1281
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.1761 0.1846
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.1761 0.1846
Entamoeba histolytica cysteine protease, putative 0.0086 0.0339 0.0356
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0093 0.0459 0.1281
Brugia malayi 1,4-alpha-glucan branching enzyme 0.027 0.3584 0.8924
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0093 0.0459 0.1144
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 0.1761 0.1846
Plasmodium falciparum cysteine proteinase falcipain 3 0.0167 0.1761 1
Loa Loa (eye worm) fibroinase 0.0167 0.1761 0.4384
Echinococcus granulosus glucan 14 alpha branching enzyme 1 0.027 0.3584 0.8924
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0635 1 1
Entamoeba histolytica cysteine protease, putative 0.0086 0.0339 0.0356
Trypanosoma cruzi major cysteine proteinase, putative 0.0499 0.7609 0.7525
Trypanosoma cruzi cysteine peptidase, putative 0.0635 1 1
Brugia malayi Cathepsin L-like precursor 0.0167 0.1761 0.4384
Brugia malayi Cathepsin L-like precursor 0.0111 0.0791 0.1971
Toxoplasma gondii glycosyltransferase 0.027 0.3584 1
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.027 0.3584 0.3758
Onchocerca volvulus 0.0167 0.1761 0.9343
Echinococcus granulosus cathepsin L cysteine proteinase 0.0167 0.1761 0.4384
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 0.1761 0.1846
Onchocerca volvulus 0.017 0.1829 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0295 0.4016 1
Plasmodium vivax vivapain-2 0.0167 0.1761 1
Echinococcus multilocularis cysteine protease 0.0167 0.1761 0.4384
Entamoeba histolytica cysteine protease, putative 0.0086 0.0339 0.0356
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0167 0.1761 0.4384
Entamoeba histolytica alpha-amylase family protein 0.0608 0.9537 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0086 0.0339 0.0946
Echinococcus granulosus cathepsin L 0.0086 0.0339 0.0844
Loa Loa (eye worm) hypothetical protein 0.0111 0.0791 0.1971
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.1761 0.1846
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0167 0.1761 0.4384
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0295 0.4016 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.1761 0.4384
Onchocerca volvulus 0.0167 0.1761 0.9343
Echinococcus multilocularis cathepsin L cysteine protease 0.0167 0.1761 0.4384
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0635 1 1
Trichomonas vaginalis amylase, putative 0.027 0.3584 0.3758
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0167 0.1761 0.4384
Brugia malayi Cathepsin L-like precursor 0.0111 0.0791 0.1971
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0635 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.1761 0.1846
Echinococcus granulosus lysosomal alpha glucosidase 0.0295 0.4016 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.1761 0.1846
Trichomonas vaginalis alpha-amylase, putative 0.0608 0.9537 1
Entamoeba histolytica cysteine proteinase, putative 0.0111 0.0791 0.083
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 0.1761 0.1846
Echinococcus multilocularis glucan (1,4 alpha), branching enzyme 1 0.027 0.3584 0.8924
Mycobacterium ulcerans glycogen branching protein 0.027 0.3584 1
Trichomonas vaginalis amylase, putative 0.0608 0.9537 1
Brugia malayi Papain family cysteine protease containing protein 0.0086 0.0339 0.0844
Entamoeba histolytica cysteine proteinase, putative 0.0086 0.0339 0.0356
Brugia malayi Cathepsin L-like precursor 0.0167 0.1761 0.4384
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 0.1761 0.1846
Loa Loa (eye worm) cysteine protease 0.0167 0.1761 0.4384
Brugia malayi Cathepsin L-like precursor 0.0167 0.1761 0.4384
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0093 0.0459 0.1144
Trichomonas vaginalis alpha-amylase, putative 0.0608 0.9537 1
Entamoeba histolytica cysteine protease, putative 0.0086 0.0339 0.0356
Echinococcus multilocularis lysosomal alpha glucosidase 0.0295 0.4016 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0167 0.1761 0.4384
Echinococcus granulosus cathepsin L cysteine protease 0.0086 0.0339 0.0844
Echinococcus multilocularis geminin 0.0153 0.1526 0.38
Entamoeba histolytica cysteine proteinase, putative 0.0167 0.1761 0.1846
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 0.1761 0.1846
Echinococcus granulosus cysteine protease 0.0086 0.0339 0.0844
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0093 0.0459 0.1144
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0635 1 1
Echinococcus multilocularis cysteine protease 0.0167 0.1761 0.4384
Echinococcus granulosus cathepsin l1 0.0111 0.0791 0.1971
Trichomonas vaginalis amylase, putative 0.0608 0.9537 1
Toxoplasma gondii alpha amylase, catalytic domain-containing protein 0.027 0.3584 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0635 1 1
Brugia malayi cathepsin L-like precursor 0.0111 0.0791 0.1971
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0635 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.0339 0.0356
Brugia malayi Cathepsin L-like precursor 0.0167 0.1761 0.4384
Trypanosoma cruzi cruzipain precursor, putative 0.0635 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0167 0.1761 0.1846
Giardia lamblia 1,4-alpha-glucan branching enzyme 0.027 0.3584 0.5
Onchocerca volvulus 0.0167 0.1761 0.9343
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0086 0.0339 0.0356
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0635 1 1
Entamoeba histolytica cysteine protease, putative 0.0086 0.0339 0.0356
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0635 1 1
Trichomonas vaginalis alpha-amylase, putative 0.0608 0.9537 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.0791 0.1971
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0635 1 1
Onchocerca volvulus Cathepsin L homolog 0.0167 0.1761 0.9343
Entamoeba histolytica cysteine protease, putative 0.0086 0.0339 0.0356
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0635 1 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0167 0.1761 0.4384
Entamoeba histolytica cysteine protease, putative 0.0086 0.0339 0.0356
Schistosoma mansoni hypothetical protein 0.0153 0.1526 0.4258
Trichomonas vaginalis alpha-amylase, putative 0.0542 0.8366 0.8772
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0093 0.0459 0.1281
Entamoeba histolytica cysteine protease, putative 0.0086 0.0339 0.0356
Mycobacterium tuberculosis 1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme) 0.027 0.3584 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.1761 0.1846
Schistosoma mansoni starch branching enzyme II 0.027 0.3584 1
Onchocerca volvulus 0.0167 0.1761 0.9343
Echinococcus granulosus cathepsin l cysteine peptidase 0.0167 0.1761 0.4384
Schistosoma mansoni alpha-glucosidase 0.0254 0.3294 0.919
Chlamydia trachomatis 1,4-alpha-glucan branching enzyme 0.027 0.3584 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0086 0.0339 0.0946
Onchocerca volvulus Cathepsin L homolog 0.0167 0.1761 0.9343
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.1761 0.1846
Brugia malayi Papain family cysteine protease containing protein 0.0167 0.1761 0.4384
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0067 0 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0635 1 1
Brugia malayi Cathepsin L-like precursor 0.0167 0.1761 0.4384
Trichomonas vaginalis starch branching enzyme II, putative 0.027 0.3584 0.3758
Onchocerca volvulus 0.0167 0.1761 0.9343
Brugia malayi Cathepsin L-like cysteine proteinase 0.0111 0.0791 0.1971
Trichomonas vaginalis alpha-amylase, putative 0.0608 0.9537 1
Entamoeba histolytica alpha-amylase family protein 0.0608 0.9537 1
Echinococcus granulosus cathepsin l1 0.0167 0.1761 0.4384
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.058 0.9031 0.8997
Schistosoma mansoni cathepsin F (C01 family) 0.0167 0.1761 0.4913
Trypanosoma cruzi cysteine peptidase, putative 0.0635 1 1
Toxoplasma gondii cathepsin CPL 0.0167 0.1761 0.4913
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.1761 0.1846
Onchocerca volvulus 0.0167 0.1761 0.9343
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0093 0.0459 0.1281
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.0791 0.083
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.1761 0.1846
Entamoeba histolytica cysteine protease, putative 0.0086 0.0339 0.0356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.1761 0.1846
Entamoeba histolytica cysteine protease, putative 0.0086 0.0339 0.0356
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0167 0.1761 1
Plasmodium vivax vivapain-2 0.0167 0.1761 1
Toxoplasma gondii 1,4-alpha-glucan-branching enzyme 0.027 0.3584 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0635 1 1
Entamoeba histolytica cysteine proteinase 1, putative 0.0086 0.0339 0.0356
Onchocerca volvulus Cathepsin F homolog 0.0167 0.1761 0.9343
Trypanosoma cruzi cysteine peptidase, putative 0.0167 0.1761 0.1472
Entamoeba histolytica cysteine proteinase, putative 0.0086 0.0339 0.0356
Entamoeba histolytica cysteine proteinase, putative 0.0086 0.0339 0.0356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0111 0.0791 0.083
Schistosoma mansoni hypothetical protein 0.0153 0.1526 0.4258
Schistosoma mansoni alpha-glucosidase 0.0254 0.3294 0.919
Schistosoma mansoni cathepsin F (C01 family) 0.0111 0.0791 0.2208
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 0.1761 0.1846
Brugia malayi Cathepsin L-like precursor 0.0167 0.1761 0.4384
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.027 0.3584 0.3758
Entamoeba histolytica cysteine proteinase, putative 0.0086 0.0339 0.0356
Entamoeba histolytica cysteine protease, putative 0.0086 0.0339 0.0356
Loa Loa (eye worm) hypothetical protein 0.0111 0.0791 0.1971
Loa Loa (eye worm) hypothetical protein 0.027 0.3584 0.8924
Echinococcus multilocularis cathepsin L 0.0086 0.0339 0.0844
Leishmania major cathepsin L-like protease 0.0635 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 0.1761 0.1846
Entamoeba histolytica cysteine protease, putative 0.0167 0.1761 0.1846
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.1761 0.1846
Echinococcus granulosus geminin 0.0153 0.1526 0.38
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0208 0.2491 0.6949
Entamoeba histolytica cysteine proteinase, putative 0.0167 0.1761 0.1846
Entamoeba histolytica cysteine protease, putative 0.0086 0.0339 0.0356
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0086 0.0339 0.0946
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 0.1761 0.1846
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.1761 0.1846
Leishmania major cathepsin L-like protease 0.0635 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.1761 0.1846
Entamoeba histolytica cysteine protease, putative 0.0086 0.0339 0.0356
Toxoplasma gondii melibiase subfamily protein 0.0093 0.0459 0.1281
Loa Loa (eye worm) ctsf protein 0.0167 0.1761 0.4384
Onchocerca volvulus 0.0167 0.1761 0.9343
Echinococcus multilocularis lysosomal alpha glucosidase 0.0295 0.4016 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0167 0.1761 0.1846
Brugia malayi Papain family cysteine protease containing protein 0.0086 0.0339 0.0844
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0167 0.1761 0.1846
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0167 0.1761 0.1846
Schistosoma mansoni cathepsin F (C01 family) 0.0167 0.1761 0.4913

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.