Detailed information for compound 806553

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 458.476 | Formula: C24H25F3N4O2
  • H donors: 1 H acceptors: 3 LogP: 3.41 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1cnccn1)Cc1cccc(c1)OC(CNC(=O)c1ccc(cc1)C(F)(F)F)C
  • InChi: 1S/C24H25F3N4O2/c1-17(13-30-23(32)19-6-8-20(9-7-19)24(25,26)27)33-22-5-3-4-18(12-22)15-31(2)16-21-14-28-10-11-29-21/h3-12,14,17H,13,15-16H2,1-2H3,(H,30,32)
  • InChiKey: YVOVIJDOMMDWLX-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
Entamoeba histolytica protein kinase domain containing protein 0.016 0.046 1
Loa Loa (eye worm) hypothetical protein 0.0634 0.4642 0.8193
Echinococcus granulosus epidermal growth factor receptor 0.0216 0.0953 0.0953
Loa Loa (eye worm) hypothetical protein 0.0116 0.0073 0.0129
Loa Loa (eye worm) TK/EGFR protein kinase 0.0366 0.2274 0.4013
Brugia malayi Sema domain containing protein 0.0265 0.1386 0.2348
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.0073 0.5
Brugia malayi Protein kinase domain containing protein 0.0146 0.0332 0.0463
Brugia malayi plexin A 0.0751 0.5666 1
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.0073 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0116 0.0073 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.0357 0.2198 0.2494
Schistosoma mansoni semaphorin 5-related 0.0265 0.1386 0.2874
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.0073 0.5
Loa Loa (eye worm) TK/INSR protein kinase 0.0146 0.0332 0.0586
Schistosoma mansoni tyrosine kinase 0.0172 0.0566 0.1079
Entamoeba histolytica tyrosin kinase, putative 0.016 0.046 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.1386 0.2446
Loa Loa (eye worm) sema domain-containing protein 0.0265 0.1386 0.2446
Loa Loa (eye worm) sema domain-containing protein 0.0265 0.1386 0.2446
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0116 0.0073 0.5
Brugia malayi Sema domain containing protein 0.0265 0.1386 0.2348
Schistosoma mansoni tyrosine kinase 0.0172 0.0566 0.1079
Schistosoma mansoni tyrosine kinase 0.0366 0.2274 0.4816
Loa Loa (eye worm) hypothetical protein 0.0265 0.1386 0.2446
Echinococcus granulosus exocyst complex component 2 0.0116 0.0073 0.0073
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0146 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0369 0.2305 0.4068
Schistosoma mansoni plexin 0.0369 0.2305 0.4885
Onchocerca volvulus 0.03 0.169 0.0933
Echinococcus multilocularis semaphorin 5B 0.0265 0.1386 0.2446
Echinococcus multilocularis transcription factor collier 0.0116 0.0073 0.0129
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0438 0.2907 0.513
Echinococcus granulosus semaphorin 5B 0.0265 0.1386 0.1386
Echinococcus granulosus insulin receptor 0.0146 0.0332 0.0332
Echinococcus multilocularis epidermal growth factor receptor 0.0216 0.0953 0.1682
Echinococcus granulosus semaphorin 1A 0.0265 0.1386 0.1386
Schistosoma mansoni hypothetical protein 0.0265 0.1386 0.2874
Schistosoma mansoni tyrosine kinase 0.0216 0.0953 0.1926
Loa Loa (eye worm) hypothetical protein 0.0265 0.1386 0.2446
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0116 0.0073 0.5
Schistosoma mansoni tyrosine kinase 0.0216 0.0953 0.1926
Loa Loa (eye worm) hypothetical protein 0.0116 0.0073 0.0129
Brugia malayi Immunoglobulin I-set domain containing protein 0.0438 0.2907 0.5066
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0116 0.0073 0.5
Brugia malayi hypothetical protein 0.0265 0.1386 0.2348
Echinococcus multilocularis insulin receptor 0.0146 0.0332 0.0586
Schistosoma mansoni hypothetical protein 0.0369 0.2305 0.4885
Loa Loa (eye worm) hypothetical protein 0.0265 0.1386 0.2446
Brugia malayi Plexin repeat family protein 0.0634 0.4642 0.8169
Onchocerca volvulus 0.0634 0.4642 1
Echinococcus multilocularis epidermal growth factor receptor 0.0366 0.2274 0.4013
Schistosoma mansoni tyrosine kinase 0.0146 0.0332 0.0566
Brugia malayi hypothetical protein 0.0265 0.1386 0.2348
Loa Loa (eye worm) hypothetical protein 0.0265 0.1386 0.2446
Echinococcus multilocularis exocyst complex component 2 0.0116 0.0073 0.0129
Schistosoma mansoni hypothetical protein 0.0265 0.1386 0.2874
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.0073 0.5
Brugia malayi Furin-like cysteine rich region family protein 0.0366 0.2274 0.3935
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.0073 0.5
Loa Loa (eye worm) plexin A 0.0751 0.5666 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.0073 0.0129
Schistosoma mansoni tyrosine kinase 0.0146 0.0332 0.0566
Loa Loa (eye worm) hypothetical protein 0.0116 0.0073 0.0129
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0116 0.0073 0.5
Echinococcus multilocularis hypothetical protein 0.0265 0.1386 0.2446
Echinococcus granulosus transcription factor collier 0.0116 0.0073 0.0073
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0216 0.0953 0.0953
Schistosoma mansoni plexin 0.0634 0.4642 1
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.0073 0.5
Echinococcus multilocularis plexin a4 0.0751 0.5666 1
Echinococcus granulosus plexin a4 0.0751 0.5666 0.5666
Loa Loa (eye worm) hypothetical protein 0.0265 0.1386 0.2446
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0146 0.0332 0.0586
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.0073 0.5
Schistosoma mansoni tyrosine kinase 0.0172 0.0566 0.1079
Echinococcus granulosus epidermal growth factor receptor 0.0366 0.2274 0.2274

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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