Detailed information for compound 783726

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.373 | Formula: C20H17FN4O2
  • H donors: 0 H acceptors: 1 LogP: 3.33 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)oc(c2)C
  • InChi: 1S/C20H17FN4O2/c1-11-7-14(13(3)24(11)16-6-4-5-15(21)10-16)9-17-19(22)25-18(23-20(17)26)8-12(2)27-25/h4-10,22H,1-3H3/b17-9-,22-19?
  • InChiKey: OHQOCNDZNKUEBI-YKPRPPQLSA-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
Schistosoma mansoni nAChR subunit 0.0073 0.3593 0.3593
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0073 0.3593 0.7603
Loa Loa (eye worm) hypothetical protein 0.0044 0.099 0.099
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0073 0.3593 0.3593
Plasmodium falciparum pantothenate kinase 1, putative 0.0085 0.4705 1
Trichomonas vaginalis pantothenate kinase, putative 0.0085 0.4705 1
Trichomonas vaginalis pantothenate kinase, putative 0.0085 0.4705 1
Toxoplasma gondii fumble protein 0.0085 0.4705 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0044 0.099 0.099
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0073 0.3593 0.3593
Trichomonas vaginalis pantothenate kinase, putative 0.0085 0.4705 1
Echinococcus multilocularis glycine receptor subunit beta 0.0073 0.3593 0.7603
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1371 0.1371
Echinococcus granulosus nAChR subunit 0.0044 0.099 0.1992
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.1467 0.3019
Onchocerca volvulus 0.0144 1 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0073 0.3593 0.3593
Loa Loa (eye worm) hypothetical protein 0.0115 0.7397 0.7397
Loa Loa (eye worm) hypothetical protein 0.0144 1 1
Echinococcus granulosus pantothenate kinase 4 0.0085 0.4705 1
Plasmodium vivax pantothenate kinase, putative 0.0085 0.4705 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0073 0.3593 0.7603
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1371 0.1371
Loa Loa (eye worm) hypothetical protein 0.0044 0.099 0.099
Echinococcus granulosus glycine receptor subunit beta 0.0073 0.3593 0.7603
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0073 0.3593 0.3593
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0144 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Onchocerca volvulus 0.0144 1 1
Loa Loa (eye worm) LGC-31 protein 0.0073 0.3593 0.3593
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0073 0.3593 0.3593
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0085 0.4705 0.5
Loa Loa (eye worm) ACC-1 protein 0.0073 0.3593 0.3593
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0073 0.3593 0.3593
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0073 0.3593 0.7603
Schistosoma mansoni nAChR subunit 0.0073 0.3593 0.3593
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0073 0.3593 0.3593
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0073 0.3593 0.7603
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0073 0.3593 0.3593
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0073 0.3593 0.3593
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0044 0.099 0.099
Loa Loa (eye worm) hypothetical protein 0.0044 0.099 0.099
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0073 0.3593 0.3593
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0073 0.3593 0.3593
Loa Loa (eye worm) hypothetical protein 0.0048 0.1371 0.1371
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0073 0.3593 0.7603
Loa Loa (eye worm) hypothetical protein 0.0044 0.099 0.099
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0144 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.099 0.099
Loa Loa (eye worm) hypothetical protein 0.0044 0.099 0.099
Onchocerca volvulus Putative nachr subunit 0.0073 0.3593 0.2889
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0073 0.3593 0.3593
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0044 0.099 0.099
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Entamoeba histolytica pantothenate kinase 1, putative 0.0085 0.4705 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Trichomonas vaginalis pantothenate kinase, putative 0.0085 0.4705 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0073 0.3593 0.7603
Onchocerca volvulus 0.0073 0.3593 0.2889
Schistosoma mansoni rotamase 0.0034 0.0066 0.0066
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0073 0.3593 0.3593
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0085 0.4705 0.5
Trichomonas vaginalis pantothenate kinase, putative 0.0085 0.4705 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Onchocerca volvulus 0.0144 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0073 0.3593 0.7603
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0034 0.0066 0.0066
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0073 0.3593 0.3593
Brugia malayi excitatory GABA receptor EXP-1A 0.0073 0.3593 0.3593
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0073 0.3593 0.3593
Schistosoma mansoni nAChR subunit 0.0073 0.3593 0.3593
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0073 0.3593 0.7603
Echinococcus multilocularis nAChR subunit 0.0073 0.3593 0.7603
Schistosoma mansoni nAChR subunit 0.0073 0.3593 0.3593
Loa Loa (eye worm) hypothetical protein 0.0144 1 1
Brugia malayi pantothenate kinase family protein 0.0085 0.4705 0.4705
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0073 0.3593 0.3593
Onchocerca volvulus 0.0073 0.3593 0.2889
Echinococcus multilocularis glycine receptor subunit beta 0.0073 0.3593 0.7603
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0073 0.3593 0.7603
Loa Loa (eye worm) hypothetical protein 0.0044 0.099 0.099
Echinococcus granulosus nAChR subunit 0.0073 0.3593 0.7603
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Schistosoma mansoni nAChR subunit 0.0073 0.3593 0.3593
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0073 0.3593 0.7603
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0073 0.3593 0.7603
Onchocerca volvulus Fumble homolog 0.0085 0.4705 0.4123
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0073 0.3593 0.7603
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0073 0.3593 0.7603
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0073 0.3593 0.7603
Loa Loa (eye worm) GABA receptor subunit 0.0044 0.099 0.099
Echinococcus multilocularis pantothenate kinase 4 0.0085 0.4705 1
Loa Loa (eye worm) ACC-1 protein 0.0073 0.3593 0.3593
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0073 0.3593 0.3593
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0073 0.3593 0.3593
Echinococcus granulosus glycine receptor subunit alpha 1 0.0073 0.3593 0.7603
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0034 0.0066 0.0066
Echinococcus multilocularis nAChR subunit 0.0044 0.099 0.1992
Schistosoma mansoni neurotransmitter gated ion channel 0.0044 0.099 0.099
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0073 0.3593 0.7603
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0073 0.3593 0.7603
Onchocerca volvulus 0.0073 0.3593 0.2889
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0073 0.3593 0.3593
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0044 0.099 0.099
Brugia malayi Cation transporter family protein 0.0073 0.3593 0.3593
Schistosoma mansoni pantothenate kinase 0.0085 0.4705 0.4705
Brugia malayi Cation transporter family protein 0.0073 0.3593 0.3593
Leishmania major pantothenate kinase subunit, putative 0.0085 0.4705 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0073 0.3593 0.7603
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0073 0.3593 0.3593
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0073 0.3593 0.3593
Schistosoma mansoni pantothenate kinase 0.0085 0.4705 0.4705
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0073 0.3593 0.3593
Schistosoma mansoni nAChR subunit 0.0073 0.3593 0.3593
Schistosoma mansoni nAChR subunit 0.0073 0.3593 0.3593
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0073 0.3593 0.3593
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0073 0.3593 0.3593
Giardia lamblia Pantothenate kinase 4 0.0085 0.4705 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0044 0.099 0.099
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1371 0.1371
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0044 0.099 0.099
Loa Loa (eye worm) pantothenate kinase 0.0085 0.4705 0.4705
Echinococcus granulosus glycine receptor subunit alpha 1 0.0073 0.3593 0.7603
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0073 0.3593 0.7603
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0073 0.3593 0.3593
Trypanosoma brucei pantothenate kinase subunit, putative 0.0085 0.4705 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0073 0.3593 0.3593
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0073 0.3593 0.7603
Loa Loa (eye worm) hypothetical protein 0.0044 0.099 0.099
Loa Loa (eye worm) hypothetical protein 0.0073 0.3593 0.3593
Echinococcus granulosus glycine receptor subunit beta 0.0073 0.3593 0.7603

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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