Detailed information for compound 1487126

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.383 | Formula: C21H19F3N2O2
  • H donors: 1 H acceptors: 2 LogP: 3.41 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(c2cccc(c2)C(F)(F)F)C(=C(N1Cc1ccccc1)C)C(=O)C
  • InChi: 1S/C21H19F3N2O2/c1-13-18(14(2)27)19(16-9-6-10-17(11-16)21(22,23)24)25-20(28)26(13)12-15-7-4-3-5-8-15/h3-11,19H,12H2,1-2H3,(H,25,28)
  • InChiKey: FAJDCVAKYCNQSZ-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
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0119 0.076 0.1032
Echinococcus multilocularis geminin 0.0205 0.1868 0.1199
Loa Loa (eye worm) proprotein convertase 2 0.0119 0.076 0.1325
Echinococcus multilocularis 0.0406 0.4476 0.4022
Giardia lamblia High cysteine membrane protein Group 2 0.0187 0.1642 1
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0306 0.3181 0.262
Schistosoma mansoni hypothetical protein 0.0205 0.1868 0.1457
Echinococcus granulosus neuroendocrine convertase 2 0.0317 0.3315 0.2766
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0119 0.076 0.1032
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2814 0.5
Brugia malayi celfurPC protein 0.0406 0.4476 0.7803
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0306 0.3181 1
Schistosoma mansoni furin-1 (S08 family) 0.0219 0.2055 0.1653
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0119 0.076 0.1032
Brugia malayi endoprotease bli-4 precursor 0.0504 0.5736 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0119 0.076 0.1032
Schistosoma mansoni hypothetical protein 0.0205 0.1868 0.1457
Brugia malayi neuroendocrine convertase 1 precursor 0.0317 0.3315 0.578
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0306 0.3181 0.262
Loa Loa (eye worm) hypothetical protein 0.0198 0.1777 0.3097
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0119 0.076 0.0293
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0504 0.5736 0.552
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0119 0.076 0.1032
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0306 0.3181 1
Echinococcus granulosus furin 0.0504 0.5736 0.5385
Loa Loa (eye worm) endoprotease bli-4 0.0504 0.5736 1
Echinococcus granulosus geminin 0.0205 0.1868 0.1199
Loa Loa (eye worm) hypothetical protein 0.0504 0.5736 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Brugia malayi proprotein convertase 2 0.0317 0.3315 0.578
Echinococcus multilocularis neuroendocrine convertase 2 0.0317 0.3315 0.2766
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0119 0.076 0.1032

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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