Detailed information for compound 863215

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 354.31 | Formula: C18H12F2N4O2
  • H donors: 2 H acceptors: 4 LogP: 2.71 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1ncc2c(c1O)nc1c2cccc1)Nc1cc(F)ccc1F
  • InChi: 1S/C18H12F2N4O2/c19-10-5-6-13(20)15(7-10)22-16(25)9-24-18(26)17-12(8-21-24)11-3-1-2-4-14(11)23-17/h1-8,26H,9H2,(H,22,25)
  • InChiKey: ZNKJIUYSQMOIFW-UHFFFAOYSA-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
Loa Loa (eye worm) GABA receptor subunit 0.0092 0.0445 0.0411
Loa Loa (eye worm) hypothetical protein 0.0078 0.0246 0.0211
Loa Loa (eye worm) hypothetical protein 0.0092 0.0445 0.0411
Brugia malayi hypothetical protein 0.0078 0.0246 0.0211
Brugia malayi hypothetical protein 0.0078 0.0246 0.0211
Onchocerca volvulus Putative nachr subunit 0.017 0.1631 0.2357
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.017 0.1631 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.0445 0.0411
Loa Loa (eye worm) hypothetical protein 0.0272 0.3175 0.3151
Echinococcus granulosus nAChR subunit 0.017 0.1631 0.5136
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.017 0.1631 0.1601
Loa Loa (eye worm) hypothetical protein 0.0078 0.0246 0.0211
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Loa Loa (eye worm) hypothetical protein 0.0078 0.0246 0.0211
Schistosoma mansoni nAChR subunit 0.017 0.1631 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0092 0.0445 0.2566
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.017 0.1631 0.508
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.017 0.1631 0.1601
Loa Loa (eye worm) hypothetical protein 0.0078 0.0246 0.0211
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.017 0.1631 0.1601
Loa Loa (eye worm) hypothetical protein 0.0078 0.0246 0.0211
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.017 0.1631 0.5136
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.017 0.1631 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.017 0.1631 0.5136
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0724 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.017 0.1631 0.508
Echinococcus multilocularis glycine receptor subunit beta 0.017 0.1631 0.508
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Trichomonas vaginalis set domain proteins, putative 0.0512 0.6802 0.5
Schistosoma mansoni nAChR subunit 0.017 0.1631 1
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Echinococcus granulosus glycine receptor subunit beta 0.017 0.1631 0.5136
Onchocerca volvulus 0.0092 0.0445 0.0605
Loa Loa (eye worm) hypothetical protein 0.0092 0.0445 0.0411
Echinococcus granulosus glycine receptor subunit alpha 1 0.017 0.1631 0.5136
Loa Loa (eye worm) hypothetical protein 0.037 0.4652 0.4632
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0078 0.0246 0.0211
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.017 0.1631 0.1601
Leishmania major C-8 sterol isomerase-like protein 0.0724 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.045 0.5862 0.5847
Loa Loa (eye worm) hypothetical protein 0.0724 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0246 0.0211
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Loa Loa (eye worm) hypothetical protein 0.0078 0.0246 0.0211
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0092 0.0445 0.0411
Brugia malayi Cation transporter family protein 0.017 0.1631 0.1601
Onchocerca volvulus 0.0092 0.0445 0.0605
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.017 0.1631 0.5136
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.017 0.1631 0.508
Brugia malayi Cation transporter family protein 0.017 0.1631 0.1601
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0078 0.0246 0.0211
Entamoeba histolytica hypothetical protein 0.0092 0.0445 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0092 0.0445 0.2566
Echinococcus multilocularis glycine receptor subunit alpha 1 0.017 0.1631 0.508
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.017 0.1631 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.017 0.1631 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0092 0.0445 0.0411
Echinococcus multilocularis nAChR subunit 0.0092 0.0445 0.1303
Loa Loa (eye worm) hypothetical protein 0.0078 0.0246 0.0211
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.017 0.1631 0.5136
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.017 0.1631 0.1601
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.017 0.1631 0.1601
Trypanosoma brucei C-8 sterol isomerase, putative 0.0724 1 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0246 0.0211
Echinococcus multilocularis glycine receptor subunit alpha 1 0.017 0.1631 0.508
Loa Loa (eye worm) ACC-1 protein 0.017 0.1631 0.1601
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Loa Loa (eye worm) acetylcholine receptor protein 0.0078 0.0246 0.0211
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.017 0.1631 0.508
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.017 0.1631 0.508
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Schistosoma mansoni nAChR subunit 0.0078 0.0246 0.1317
Loa Loa (eye worm) ACC-1 protein 0.017 0.1631 0.1601
Echinococcus multilocularis nAChR subunit 0.017 0.1631 0.508
Schistosoma mansoni neurotransmitter gated ion channel 0.0078 0.0246 0.1317
Loa Loa (eye worm) hypothetical protein 0.0092 0.0445 0.0411
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.017 0.1631 0.1601
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Echinococcus multilocularis glycine receptor subunit alpha 1 0.017 0.1631 0.508
Loa Loa (eye worm) hypothetical protein 0.0092 0.0445 0.0411
Echinococcus granulosus nAChR subunit 0.0092 0.0445 0.1402
Onchocerca volvulus 0.0512 0.6802 1
Schistosoma mansoni nAChR subunit 0.0078 0.0246 0.1317
Schistosoma mansoni acetylcholine receptor subunit beta 0.0078 0.0246 0.1317
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0078 0.0246 0.0211
Schistosoma mansoni nAChR subunit 0.017 0.1631 1
Onchocerca volvulus 0.0078 0.0246 0.0311
Echinococcus granulosus glycine receptor subunit beta 0.017 0.1631 0.5136
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.017 0.1631 0.1601
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0078 0.0246 0.0669
Echinococcus multilocularis glycine receptor subunit beta 0.017 0.1631 0.508
Onchocerca volvulus 0.017 0.1631 0.2357
Onchocerca volvulus 0.017 0.1631 0.2357
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.017 0.1631 0.5136
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.017 0.1631 0.1601
Brugia malayi Pre-SET motif family protein 0.045 0.5862 0.5847
Brugia malayi excitatory GABA receptor EXP-1A 0.017 0.1631 0.1601
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0078 0.0246 0.0211
Echinococcus granulosus histone lysine methyltransferase setb 0.0065 0.0036 0.0113
Onchocerca volvulus 0.017 0.1631 0.2357
Echinococcus granulosus glycine receptor subunit alpha 1 0.017 0.1631 0.5136
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.017 0.1631 0.1601
Brugia malayi hypothetical protein 0.0078 0.0246 0.0211
Loa Loa (eye worm) hypothetical protein 0.0078 0.0246 0.0211
Schistosoma mansoni nAChR subunit 0.017 0.1631 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.017 0.1631 0.1601
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.017 0.1631 0.1601
Loa Loa (eye worm) hypothetical protein 0.0078 0.0246 0.0211
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.017 0.1631 0.508
Loa Loa (eye worm) hypothetical protein 0.0092 0.0445 0.0411
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0078 0.0246 0.0211
Loa Loa (eye worm) hypothetical protein 0.0078 0.0246 0.0211
Schistosoma mansoni nAChR subunit 0.017 0.1631 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.017 0.1631 0.1601
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.017 0.1631 0.1601
Brugia malayi hypothetical protein 0.0078 0.0246 0.0211
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0078 0.0246 0.0211
Loa Loa (eye worm) LGC-31 protein 0.017 0.1631 0.1601
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0092 0.0445 0.0411
Onchocerca volvulus Huntingtin homolog 0.0124 0.0932 0.1325
Onchocerca volvulus 0.017 0.1631 0.2357
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.017 0.1631 0.1601
Echinococcus granulosus glycine receptor subunit alpha 1 0.017 0.1631 0.5136
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0078 0.0246 0.0669
Schistosoma mansoni acetylcholine receptor-related 0.0078 0.0246 0.1317
Onchocerca volvulus 0.017 0.1631 0.2357
Loa Loa (eye worm) hypothetical protein 0.0078 0.0246 0.0211
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.017 0.1631 0.1601
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.017 0.1631 0.1601
Brugia malayi hypothetical protein 0.0078 0.0246 0.0211
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.017 0.1631 1
Brugia malayi hypothetical protein 0.0272 0.3175 0.3151
Schistosoma mansoni nAChR subunit 0.017 0.1631 1
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.017 0.1631 0.5136
Loa Loa (eye worm) hypothetical protein 0.0124 0.0932 0.09
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Onchocerca volvulus 0.027 0.3147 0.4598
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.017 0.1631 0.1601
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.017 0.1631 0.5136
Loa Loa (eye worm) hypothetical protein 0.0092 0.0445 0.0411
Brugia malayi Cation transporter family protein 0.017 0.1631 0.1601
Schistosoma mansoni neurotransmitter gated ion channel 0.0078 0.0246 0.1317
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0078 0.0246 0.0211
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0065 0.0036 0.5
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.017 0.1631 0.508
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0078 0.0246 0.0775
Onchocerca volvulus Huntingtin homolog 0.0124 0.0932 0.1325
Plasmodium vivax SET domain protein, putative 0.0065 0.0036 0.5
Onchocerca volvulus 0.0078 0.0246 0.0311
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0078 0.0246 0.0669
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.017 0.1631 1
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Loa Loa (eye worm) hypothetical protein 0.0092 0.0445 0.0411
Onchocerca volvulus 0.017 0.1631 0.2357
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.017 0.1631 0.1601
Loa Loa (eye worm) hypothetical protein 0.0078 0.0246 0.0211
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.017 0.1631 0.1601
Loa Loa (eye worm) hypothetical protein 0.017 0.1631 0.1601
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0078 0.0246 0.0775
Brugia malayi hypothetical protein 0.0124 0.0932 0.09
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.017 0.1631 0.1601
Echinococcus granulosus survival motor neuron protein 1 0.0272 0.3175 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.0445 0.0411
Onchocerca volvulus 0.0078 0.0246 0.0311
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0092 0.0445 0.0411
Loa Loa (eye worm) hypothetical protein 0.0078 0.0246 0.0211
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0092 0.0445 0.2566
Echinococcus multilocularis survival motor neuron protein 1 0.0272 0.3175 1
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0078 0.0246 0.0211
Schistosoma mansoni nAChR subunit 0.017 0.1631 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.017 0.1631 0.5136
Loa Loa (eye worm) hypothetical protein 0.0124 0.0932 0.09
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.017 0.1631 0.1601

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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