Detailed information for compound 1641242

Basic information

Technical information
  • TDR Targets ID: 1641242
  • Name: 2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpr opylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzam ide
  • MW: 441.474 | Formula: C23H25F2N5O2
  • H donors: 2 H acceptors: 3 LogP: 4.01 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cc(ccc1c1nnc(o1)NCCCN1CCCCC1)NC(=O)c1ccccc1F
  • InChi: 1S/C23H25F2N5O2/c24-19-8-3-2-7-17(19)21(31)27-16-9-10-18(20(25)15-16)22-28-29-23(32-22)26-11-6-14-30-12-4-1-5-13-30/h2-3,7-10,15H,1,4-6,11-14H2,(H,26,29)(H,27,31)
  • InChiKey: NCQMWVKUWZGXIY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-fluoro-N-[3-fluoro-4-[5-[3-(1-piperidyl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
  • 2-fluoro-N-[3-fluoro-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 potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL References
Homo sapiens cholinergic receptor, nicotinic, alpha 7 (neuronal) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus 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 mansoni nAChR subunit (ShAR1-beta-like) Get druggable targets OG5_130932 All targets in OG5_130932
Onchocerca volvulus 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
Brugia malayi Cation transporter family protein 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
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
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
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
Loa Loa (eye worm) hypothetical protein 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
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130932 All targets in OG5_130932
Loa Loa (eye worm) hypothetical protein 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-alpha-like) Get druggable targets OG5_130932 All targets in OG5_130932
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Onchocerca volvulus 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
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-7 precursor, putative Get druggable targets OG5_130932 All targets in OG5_130932
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
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.3576 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0015 0.0681 0.1085
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0015 0.0681 0.1085
Echinococcus granulosus glycine receptor subunit alpha 1 0.0015 0.0681 0.1085
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0015 0.0681 0.1085
Loa Loa (eye worm) sema domain-containing protein 0.0023 0.1593 0.1593
Echinococcus multilocularis exocyst complex component 2 0.001 0.0158 0.0252
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0015 0.0681 0.0681
Echinococcus granulosus glycine receptor subunit beta 0.0015 0.0681 0.1085
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.4342 0.4342
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0681 0.0681
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0015 0.0681 0.1085
Echinococcus granulosus semaphorin 1A 0.0023 0.1593 0.2541
Loa Loa (eye worm) hypothetical protein 0.0056 0.5152 0.5152
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0015 0.0681 0.1085
Echinococcus multilocularis hypothetical protein 0.0023 0.1593 0.2541
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0015 0.0681 0.0681
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.3896 0.3896
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0015 0.0681 0.0681
Loa Loa (eye worm) ACC-1 protein 0.0015 0.0681 0.0681
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0446 0.0446
Loa Loa (eye worm) hypothetical protein 0.0013 0.0446 0.0446
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0015 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0015 0.0681 0.1085
Echinococcus granulosus semaphorin 5B 0.0023 0.1593 0.2541
Loa Loa (eye worm) hypothetical protein 0.001 0.0158 0.0158
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0015 0.0681 0.1085
Brugia malayi Cation transporter family protein 0.0015 0.0681 0.0681
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0015 0.0681 0.1085
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0446 0.0446
Schistosoma mansoni nAChR subunit 0.0015 0.0681 0.0681
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0015 0.0681 0.0681
Echinococcus granulosus glycine receptor subunit alpha 1 0.0015 0.0681 0.1085
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0681 0.0681
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.001 0.0158 0.0442
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0015 0.0681 0.1085
Schistosoma mansoni nAChR subunit 0.0015 0.0681 0.0681
Echinococcus granulosus voltage gated potassium channel 0.0013 0.0446 0.0711
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0158 0.0442
Loa Loa (eye worm) plexin A 0.0066 0.6272 0.6272
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Echinococcus granulosus nAChR subunit 0.0015 0.0681 0.1085
Schistosoma mansoni nAChR subunit 0.0015 0.0681 0.0681
Echinococcus multilocularis plexin a4 0.0066 0.6272 1
Schistosoma mansoni nAChR subunit 0.0015 0.0681 0.0681
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.0446 0.0711
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Onchocerca volvulus 0.0056 0.5152 0.4798
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.001 0.0158 0.0442
Onchocerca volvulus 0.0101 1 1
Echinococcus multilocularis voltage gated potassium channel 0.0013 0.0446 0.0711
Echinococcus granulosus glycine receptor subunit beta 0.0015 0.0681 0.1085
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0158 0.0442
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Brugia malayi hypothetical protein 0.0023 0.1593 0.1593
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Brugia malayi hypothetical protein 0.0023 0.1593 0.1593
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0015 0.0681 0.1085
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.3896 0.6212
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.3576 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0015 0.0681 0.0681
Schistosoma mansoni fibrocystin l 0.001 0.0158 0.0158
Onchocerca volvulus 0.0023 0.1593 0.098
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0023 0.1593 0.1593
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0015 0.0681 0.1085
Loa Loa (eye worm) LGC-31 protein 0.0015 0.0681 0.0681
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.4342 0.4342
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0015 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.001 0.0158 0.0158
Loa Loa (eye worm) hypothetical protein 0.0033 0.2598 0.2598
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0015 0.0681 0.0681
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0158 0.0442
Echinococcus multilocularis glycine receptor subunit beta 0.0015 0.0681 0.1085
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.001 0.0158 0.0442
Echinococcus multilocularis nAChR subunit 0.0015 0.0681 0.1085
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0015 0.0681 0.0681
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0015 0.0681 0.0681
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0015 0.0681 0.0681
Schistosoma mansoni plexin 0.0033 0.2598 0.2598
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0015 0.0681 0.1085
Loa Loa (eye worm) hypothetical protein 0.0023 0.1593 0.1593
Loa Loa (eye worm) hypothetical protein 0.0023 0.1593 0.1593
Echinococcus multilocularis glycine receptor subunit beta 0.0015 0.0681 0.1085
Echinococcus multilocularis transcription factor collier 0.001 0.0158 0.0252
Entamoeba histolytica tyrosin kinase, putative 0.0013 0.0457 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0015 0.0681 0.0681
Onchocerca volvulus 0.0101 1 1
Echinococcus multilocularis semaphorin 5B 0.0023 0.1593 0.2541
Schistosoma mansoni hypothetical protein 0.0023 0.1593 0.1593
Loa Loa (eye worm) sema domain-containing protein 0.0023 0.1593 0.1593
Schistosoma mansoni hypothetical protein 0.001 0.0158 0.0158
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0015 0.0681 0.0681
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0015 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Brugia malayi excitatory GABA receptor EXP-1A 0.0015 0.0681 0.0681
Onchocerca volvulus 0.0101 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0015 0.0681 0.0681
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.3896 0.6212
Loa Loa (eye worm) hypothetical protein 0.001 0.0158 0.0158
Brugia malayi plexin A 0.0066 0.6272 0.6272
Schistosoma mansoni hypothetical protein 0.0033 0.2598 0.2598
Loa Loa (eye worm) hypothetical protein 0.0039 0.3255 0.3255
Echinococcus granulosus glycine receptor subunit alpha 1 0.0015 0.0681 0.1085
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.001 0.0158 0.0442
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0015 0.0681 0.0681
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.0446 0.0711
Schistosoma mansoni hypothetical protein 0.001 0.0158 0.0158
Brugia malayi Cation transporter family protein 0.0015 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Echinococcus granulosus exocyst complex component 2 0.001 0.0158 0.0252
Echinococcus granulosus plexin a4 0.0066 0.6272 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0681 0.0681
Loa Loa (eye worm) ACC-1 protein 0.0015 0.0681 0.0681
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0015 0.0681 0.1085
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.3896 0.3896
Loa Loa (eye worm) hypothetical protein 0.0023 0.1593 0.1593
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0015 0.0681 0.1085
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0015 0.0681 0.1085
Schistosoma mansoni plexin 0.0056 0.5152 0.5152
Loa Loa (eye worm) hypothetical protein 0.001 0.0158 0.0158
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0015 0.0681 0.1085
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0101 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0013 0.0457 1
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0158 0.0442
Schistosoma mansoni semaphorin 5-related 0.0023 0.1593 0.1593
Brugia malayi Sema domain containing protein 0.0023 0.1593 0.1593
Loa Loa (eye worm) hypothetical protein 0.0023 0.1593 0.1593
Loa Loa (eye worm) hypothetical protein 0.0023 0.1593 0.1593
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0015 0.0681 0.0681
Echinococcus granulosus transcription factor collier 0.001 0.0158 0.0252
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0158 0.0442
Loa Loa (eye worm) hypothetical protein 0.0101 1 1
Schistosoma mansoni nAChR subunit 0.0015 0.0681 0.0681
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0158 0.0442
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0094 0.9243 0.9243
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0101 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Brugia malayi DNA-binding protein LAG-1 0.001 0.0158 0.0158
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0015 0.0681 0.0681
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0015 0.0681 0.1085
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.001 0.0158 0.0442
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Brugia malayi Plexin repeat family protein 0.0056 0.5152 0.5152
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0015 0.0681 0.0681
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0015 0.0681 0.0681
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0015 0.0681 0.0681
Schistosoma mansoni nAChR subunit 0.0015 0.0681 0.0681
Brugia malayi Probable exocyst complex component Sec5 0.001 0.0158 0.0158
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0158 0.0442
Brugia malayi IPT/TIG domain containing protein 0.001 0.0158 0.0158
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0015 0.0681 0.1085
Schistosoma mansoni hypothetical protein 0.0023 0.1593 0.1593
Brugia malayi Sema domain containing protein 0.0023 0.1593 0.1593
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0013 0.0446 0.0446
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0101 1 1
Schistosoma mansoni nAChR subunit 0.0015 0.0681 0.0681
Loa Loa (eye worm) hypothetical protein 0.0015 0.0681 0.0681

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 6.9 Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay ChEMBL. 22503248
IC50 (binding) = 5 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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