Detailed information for compound 1642869

Basic information

Technical information
  • TDR Targets ID: 1642869
  • Name: 2-fluoro-N-[3-methyl-4-[5-(3-piperidin-1-ylpr opylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzam ide
  • MW: 437.51 | Formula: C24H28FN5O2
  • H donors: 2 H acceptors: 3 LogP: 4.27 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(ccc1c1nnc(o1)NCCCN1CCCCC1)NC(=O)c1ccccc1F
  • InChi: 1S/C24H28FN5O2/c1-17-16-18(27-22(31)20-8-3-4-9-21(20)25)10-11-19(17)23-28-29-24(32-23)26-12-7-15-30-13-5-2-6-14-30/h3-4,8-11,16H,2,5-7,12-15H2,1H3,(H,26,29)(H,27,31)
  • InChiKey: LQLBQZWNCWVUDR-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-fluoro-N-[3-methyl-4-[5-[3-(1-piperidyl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
  • 2-fluoro-N-[3-methyl-4-[5-(3-piperidinopropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cholinergic receptor, nicotinic, alpha 7 (neuronal) Starlite/ChEMBL References
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) Get druggable targets OG5_130932 All targets in OG5_130932
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Onchocerca volvulus Get druggable targets OG5_130932 All targets in OG5_130932
Onchocerca volvulus Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04809 cholinergic receptor, nicotinic, alpha 7, putative Get druggable targets OG5_130932 All targets in OG5_130932
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-7 precursor, putative Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-7 precursor, putative Get druggable targets OG5_130932 All targets in OG5_130932
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-7 precursor, putative Get druggable targets OG5_130932 All targets in OG5_130932
Onchocerca volvulus Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma japonicum IPR006201,Neurotransmitter-gated ion-channel;IPR006029,Neurotransmitter-gated ion-channel transmembrane region,domain-containing Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130932 All targets in OG5_130932
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi Cation transporter family protein Get druggable targets OG5_130932 All targets in OG5_130932
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130932 All targets in OG5_130932
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi acetylcholine receptor alpha subunit precursor, putative cholinergic receptor, nicotinic, alpha 7 (neuronal) 502 aa 513 aa 33.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.021 1 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.021 1 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.021 1 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0101 0.3612 0.3217
Loa Loa (eye worm) hypothetical protein 0.0101 0.3612 0.3612
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.021 1 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.021 1 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.021 1 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.021 1 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A 0.021 1 1
Plasmodium falciparum eukaryotic initiation factor 4A 0.021 1 0.5
Brugia malayi Cation transporter family protein 0.0101 0.3612 0.3385
Echinococcus granulosus eukaryotic initiation factor 4A III 0.021 1 1
Plasmodium vivax RNA helicase-1, putative 0.021 1 0.5
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.021 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0101 0.3612 0.3612
Echinococcus granulosus eukaryotic initiation factor 4A 0.021 1 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.021 1 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.021 1 1
Giardia lamblia Translation initiation factor eIF-4A, putative 0.021 1 0.5
Treponema pallidum ATP-dependent RNA helicase 0.021 1 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0343 0.0343
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.021 1 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.021 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0101 0.3612 0.3217
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.021 1 1
Loa Loa (eye worm) hypothetical protein 0.021 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.021 1 0.5
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.021 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 0.3207 0.3207

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 6.4 Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay ChEMBL. 22503248
IC50 (binding) = 5.4 Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay ChEMBL. 22503248

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

1 literature reference was collected for this gene.

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