Detailed information for compound 1751963

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 393.36 | Formula: C19H18F3N3O3
  • H donors: 2 H acceptors: 3 LogP: 2.84 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)c1ccnc2c1CC(O2)C(=O)NCCC(F)(F)F
  • InChi: 1S/C19H18F3N3O3/c1-11(26)25-13-4-2-12(3-5-13)14-6-8-24-18-15(14)10-16(28-18)17(27)23-9-7-19(20,21)22/h2-6,8,16H,7,9-10H2,1H3,(H,23,27)(H,25,26)
  • InChiKey: GFWDNCMXAVFZQP-UHFFFAOYSA-N  


Substructure search Similarity search

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
Brugia malayi Eukaryotic aspartyl protease family protein 0.021 0.0849 1
Loa Loa (eye worm) aspartyl protease 6 0.021 0.0849 0.6037
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.021 0.0849 0.0849
Brugia malayi Cathepsin L-like precursor 0.0043 0.0095 0.1119
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.021 0.0849 0.0849
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0095 0.0685
Plasmodium falciparum plasmepsin V 0.1117 0.4951 1
Onchocerca volvulus Cathepsin F homolog 0.0043 0.0095 0.0791
Plasmodium falciparum plasmepsin IX 0.021 0.0849 0.1714
Brugia malayi Cathepsin L-like precursor 0.0029 0.003 0.0356
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0329 0.1386 1
Brugia malayi Pepsin A precursor 0.021 0.0849 1
Onchocerca volvulus 0.0043 0.0095 0.0791
Plasmodium falciparum plasmepsin VIII, putative 0.021 0.0849 0.1714
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0095 0.0685
Onchocerca volvulus Cathepsin L homolog 0.0043 0.0095 0.0791
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0043 0.0095 0.0685
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0043 0.0095 0.0685
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0095 0.0685
Trypanosoma cruzi cysteine peptidase, putative 0.0043 0.0095 1
Brugia malayi Cathepsin L-like precursor 0.0043 0.0095 0.1119
Loa Loa (eye worm) hypothetical protein 0.0329 0.1386 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0095 0.0685
Schistosoma mansoni cathepsin F (C01 family) 0.0043 0.0095 0.0095
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.021 0.0849 0.0849
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0043 0.0095 1
Leishmania major cathepsin L-like protease 0.0043 0.0095 0.5
Echinococcus granulosus cathepsin L cysteine proteinase 0.0043 0.0095 0.0685
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0043 0.0095 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0043 0.0095 0.0477
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0043 0.0095 0.0685
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0043 0.0095 0.0685
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0043 0.0095 0.0192
Loa Loa (eye worm) hypothetical protein 0.021 0.0849 0.6037
Loa Loa (eye worm) fibroinase 0.0043 0.0095 0.0477
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0043 0.0095 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.021 0.0849 0.0849
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0043 0.0095 1
Plasmodium falciparum plasmepsin III 0.021 0.0849 0.1714
Toxoplasma gondii aspartyl protease ASP5 0.0907 0.4002 1
Plasmodium vivax aspartyl protease, putative 0.021 0.0849 0.1714
Echinococcus multilocularis cathepsin L cysteine protease 0.0043 0.0095 0.0685
Brugia malayi aspartic protease BmAsp-1, identical 0.021 0.0849 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.021 0.0849 0.0849
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0043 0.0095 0.0685
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0043 0.0095 0.0685
Leishmania major cathepsin L-like protease 0.0043 0.0095 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0095 0.0685
Onchocerca volvulus 0.0043 0.0095 0.0791
Schistosoma mansoni cathepsin D (A01 family) 0.0632 0.2757 0.2757
Plasmodium vivax aspartyl protease, putative 0.021 0.0849 0.1714
Plasmodium falciparum plasmepsin X 0.021 0.0849 0.1714
Plasmodium falciparum plasmepsin I 0.0329 0.1386 0.2799
Leishmania major cathepsin L-like protease 0.0043 0.0095 0.5
Toxoplasma gondii aspartyl protease ASP1 0.0329 0.1386 0.3305
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0043 0.0095 1
Entamoeba histolytica cysteine proteinase, putative 0.0043 0.0095 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0043 0.0095 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.003 0.0218
Schistosoma mansoni cathepsin D (A01 family) 0.0632 0.2757 0.2757
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0043 0.0095 0.0685
Plasmodium vivax plasmepsin IV, putative 0.0329 0.1386 0.2799
Plasmodium vivax plasmepsin V, putative 0.1117 0.4951 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0043 0.0095 1
Brugia malayi Cathepsin L-like precursor 0.0043 0.0095 0.1119
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0043 0.0095 0.0477
Brugia malayi hypothetical protein 0.021 0.0849 1
Loa Loa (eye worm) hypothetical protein 0.021 0.0849 0.6037
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0329 0.1386 1
Toxoplasma gondii aspartyl protease 0.021 0.0849 0.1929
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0329 0.1386 0.1386
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0095 0.0685
Loa Loa (eye worm) cysteine protease 0.0043 0.0095 0.0477
Onchocerca volvulus 0.021 0.0849 1
Entamoeba histolytica cysteine protease, putative 0.0043 0.0095 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0043 0.0095 0.0685
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.021 0.0849 0.0849
Onchocerca volvulus 0.021 0.0849 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0029 0.003 0.0218
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0043 0.0095 0.0685
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0095 0.0685
Echinococcus multilocularis cathepsin L cysteine protease 0.0043 0.0095 0.0685
Trypanosoma cruzi cysteine peptidase, putative 0.0043 0.0095 1
Brugia malayi Cathepsin L-like precursor 0.0043 0.0095 0.1119
Leishmania major cathepsin L-like protease 0.0043 0.0095 0.5
Plasmodium vivax aspartyl proteinase, putative 0.021 0.0849 0.1714
Brugia malayi Cathepsin L-like cysteine proteinase 0.0029 0.003 0.0356
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0043 0.0095 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0329 0.1386 1
Entamoeba histolytica cysteine proteinase, putative 0.0043 0.0095 1
Leishmania major cathepsin L-like protease 0.0043 0.0095 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0043 0.0095 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0043 0.0095 0.0685
Brugia malayi aspartic protease BmAsp-2, identical 0.021 0.0849 1
Plasmodium falciparum plasmepsin VI 0.0329 0.1386 0.2799
Echinococcus granulosus cathepsin l1 0.0043 0.0095 0.0685
Loa Loa (eye worm) ctsf protein 0.0043 0.0095 0.0477
Plasmodium falciparum cysteine proteinase falcipain 3 0.0043 0.0095 0.0192
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0095 0.0685
Onchocerca volvulus 0.0043 0.0095 0.0791
Echinococcus multilocularis cysteine protease 0.0043 0.0095 0.0685
Plasmodium vivax aspartyl proteinase, putative 0.0329 0.1386 0.2799
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0095 0.0685
Schistosoma mansoni cathepsin F (C01 family) 0.0043 0.0095 0.0095
Leishmania major cathepsin L-like protease 0.0043 0.0095 0.5
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0329 0.1386 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0095 0.0685
Brugia malayi hypothetical protein 0.021 0.0849 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.021 0.0849 0.0849
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0043 0.0095 1
Onchocerca volvulus 0.0043 0.0095 0.0791
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0029 0.003 0.3182
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0095 0.0685
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0043 0.0095 1
Schistosoma mansoni cathepsin F (C01 family) 0.0029 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0043 0.0095 0.0477
Trypanosoma cruzi cysteine peptidase, putative 0.0043 0.0095 1
Brugia malayi Papain family cysteine protease containing protein 0.0043 0.0095 0.1119
Plasmodium vivax vivapain-2 0.0043 0.0095 0.0192
Echinococcus granulosus cathepsin l cysteine peptidase 0.0043 0.0095 0.0685
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0043 0.0095 0.0685
Plasmodium vivax aspartyl protease, putative 0.021 0.0849 0.1714
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0095 0.0685
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.021 0.0849 0.1929
Trypanosoma cruzi cruzipain precursor, putative 0.0043 0.0095 1
Loa Loa (eye worm) aspartic protease BmAsp-1 0.021 0.0849 0.6037
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0043 0.0095 0.0192
Plasmodium falciparum plasmepsin IV 0.0329 0.1386 0.2799
Plasmodium vivax vivapain-2 0.0043 0.0095 0.0192
Onchocerca volvulus 0.0043 0.0095 0.0791
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0095 0.0685
Brugia malayi Cathepsin L-like precursor 0.0029 0.003 0.0356
Onchocerca volvulus Cathepsin L homolog 0.0043 0.0095 0.0791
Onchocerca volvulus 0.0043 0.0095 0.0791
Plasmodium falciparum plasmepsin VII 0.021 0.0849 0.1714
Brugia malayi Cathepsin L-like precursor 0.0043 0.0095 0.1119
Trypanosoma cruzi cysteine peptidase, putative 0.0043 0.0095 1
Echinococcus granulosus cathepsin l1 0.0029 0.003 0.0218
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.021 0.0849 0.0849
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0043 0.0095 0.0685
Onchocerca volvulus 0.0043 0.0095 0.0791
Entamoeba histolytica cysteine proteinase, putative 0.0029 0.003 0.3182
Leishmania major cysteine peptidase A (CPA) 0.0043 0.0095 0.5
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0329 0.1386 0.3305
Plasmodium falciparum plasmepsin II 0.0329 0.1386 0.2799
Leishmania major cathepsin L-like protease 0.0043 0.0095 0.5
Echinococcus multilocularis cysteine protease 0.0043 0.0095 0.0685
Brugia malayi cathepsin L-like precursor 0.0029 0.003 0.0356
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0043 0.0095 0.0685
Leishmania major cathepsin L-like protease 0.0043 0.0095 0.5
Brugia malayi Cathepsin L-like precursor 0.0043 0.0095 0.1119
Toxoplasma gondii aspartyl protease ASP3 0.021 0.0849 0.1929
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0043 0.0095 0.0685

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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