Detailed information for compound 1062479

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 354.327 | Formula: C16H17F3N4O2
  • H donors: 1 H acceptors: 2 LogP: 2.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(n1)C(F)(F)F)Nc1nccn(c1=O)[C@@H](C1CC1)C
  • InChi: 1S/C16H17F3N4O2/c1-9(10-3-4-10)23-8-7-20-14(15(23)24)21-11-5-6-12(25-2)22-13(11)16(17,18)19/h5-10H,3-4H2,1-2H3,(H,20,21)/t9-/m1/s1
  • InChiKey: OWMQCDOIWCGTGY-SECBINFHSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Corticotropin releasing factor receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) hypothetical protein Corticotropin releasing factor receptor 1   415 aa 359 aa 21.4 %
Onchocerca volvulus Pseudouridine-5 prime-monophosphatase homolog Corticotropin releasing factor receptor 1   415 aa 401 aa 27.2 %
Onchocerca volvulus Corticotropin releasing factor receptor 1   415 aa 401 aa 30.2 %
Loa Loa (eye worm) pigment dispersing factor receptor c Corticotropin releasing factor receptor 1   415 aa 394 aa 27.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0035 0.0741 0.0741
Echinococcus multilocularis thyroid hormone receptor alpha 0.0132 0.421 0.5481
Schistosoma mansoni thyroid hormone receptor 0.0132 0.421 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.386 0.4974
Loa Loa (eye worm) hypothetical protein 0.0295 1 1
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0431 0.0431
Schistosoma mansoni hypothetical protein 0.0035 0.0741 0.082
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.022 0.7326 1
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0741 0.0741
Schistosoma mansoni hypothetical protein 0.0035 0.0741 0.082
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.386 0.4974
Schistosoma mansoni hypothetical protein 0.0035 0.0741 0.082
Onchocerca volvulus 0.0026 0.0431 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0431 0.0431
Loa Loa (eye worm) pigment dispersing factor receptor c 0.011 0.3415 0.3415
Onchocerca volvulus 0.0026 0.0431 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.011 0.3415 0.3415
Brugia malayi intermediate filament protein 0.0026 0.0431 0.0431
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0741 0.0741
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0741 0.045
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0741 0.0741
Loa Loa (eye worm) hypothetical protein 0.0026 0.0414 0.0414
Schistosoma mansoni thyroid hormone receptor 0.0132 0.421 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0741 0.082
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.2177 0.2177
Entamoeba histolytica hypothetical protein 0.0035 0.0741 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.2177 0.2177
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0431 0.0431
Echinococcus granulosus GPCR family 2 0.0035 0.0741 0.045
Entamoeba histolytica hypothetical protein 0.0035 0.0741 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0741 0.045
Entamoeba histolytica hypothetical protein 0.0035 0.0741 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0741 0.045
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.022 0.7326 1
Schistosoma mansoni hypothetical protein 0.0035 0.0741 0.082
Loa Loa (eye worm) hypothetical protein 0.0035 0.0741 0.0741
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0741 0.045
Schistosoma mansoni hypothetical protein 0.0123 0.386 0.9074
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0431 0.0431
Schistosoma mansoni hypothetical protein 0.0035 0.0741 0.082
Schistosoma mansoni hypothetical protein 0.0075 0.2177 0.4621
Entamoeba histolytica hypothetical protein 0.0035 0.0741 0.5
Echinococcus multilocularis GPCR, family 2 0.0035 0.0741 0.045

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 150 nM Displacement of [125I]Tyr-ovine-CRF from CRF1 receptor in rat frontal cortex homogenate by gamma counting ChEMBL. 19552437

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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