Detailed information for compound 783098

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.801 | Formula: C16H20ClN3O4
  • H donors: 1 H acceptors: 3 LogP: 2.55 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(CNC(=O)c1nnc(o1)Cc1cccc(c1)Cl)OCC
  • InChi: 1S/C16H20ClN3O4/c1-3-22-14(23-4-2)10-18-15(21)16-20-19-13(24-16)9-11-6-5-7-12(17)8-11/h5-8,14H,3-4,9-10H2,1-2H3,(H,18,21)
  • InChiKey: FRPARFKVBQPGIS-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
Trichomonas vaginalis pantothenate kinase, putative 0.0076 0.3655 1
Trichomonas vaginalis pantothenate kinase, putative 0.0076 0.3655 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0077 0.3736 1
Onchocerca volvulus 0.0077 0.3736 0.2889
Loa Loa (eye worm) pantothenate kinase 0.0076 0.3655 0.3615
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0077 0.3736 0.3696
Brugia malayi Cation transporter family protein 0.0077 0.3736 0.3696
Schistosoma mansoni nAChR subunit 0.0077 0.3736 0.3696
Echinococcus granulosus nAChR subunit 0.0046 0.1191 0.307
Loa Loa (eye worm) hypothetical protein 0.0046 0.1191 0.1135
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0076 0.3655 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.1191 0.1135
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0077 0.3736 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0046 0.1191 0.1135
Loa Loa (eye worm) hypothetical protein 0.0046 0.1191 0.1135
Onchocerca volvulus 0.0152 1 1
Loa Loa (eye worm) GABA receptor subunit 0.0046 0.1191 0.1135
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0077 0.3736 0.3696
Schistosoma mansoni nAChR subunit 0.0077 0.3736 0.3696
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0077 0.3736 0.3696
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0077 0.3736 0.3696
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0077 0.3736 0.3696
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0077 0.3736 0.3696
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0077 0.3736 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0077 0.3736 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0077 0.3736 0.3696
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0077 0.3736 0.3696
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0152 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0077 0.3736 0.3696
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0077 0.3736 1
Onchocerca volvulus 0.0077 0.3736 0.2889
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0077 0.3736 1
Echinococcus granulosus glycine receptor subunit beta 0.0077 0.3736 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0077 0.3736 1
Schistosoma mansoni nAChR subunit 0.0077 0.3736 0.3696
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0046 0.1191 0.1135
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0077 0.3736 0.3696
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0077 0.3736 0.3696
Loa Loa (eye worm) ACC-1 protein 0.0077 0.3736 0.3696
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0077 0.3736 0.3696
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0077 0.3736 0.3696
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0046 0.1191 0.1135
Loa Loa (eye worm) hypothetical protein 0.0046 0.1191 0.1135
Loa Loa (eye worm) hypothetical protein 0.0152 1 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.7455 0.7439
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0152 1 1
Brugia malayi Cation transporter family protein 0.0077 0.3736 0.3696
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0046 0.1191 0.1135
Schistosoma mansoni neurotransmitter gated ion channel 0.0046 0.1191 0.1135
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0046 0.1191 0.1135
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0077 0.3736 0.3696
Giardia lamblia Pantothenate kinase 4 0.0076 0.3655 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Loa Loa (eye worm) hypothetical protein 0.0152 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0077 0.3736 1
Echinococcus multilocularis nAChR subunit 0.0077 0.3736 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0077 0.3736 0.3696
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0077 0.3736 0.3696
Leishmania major pantothenate kinase subunit, putative 0.0076 0.3655 0.5
Schistosoma mansoni nAChR subunit 0.0077 0.3736 0.3696
Echinococcus granulosus glycine receptor subunit beta 0.0077 0.3736 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Echinococcus multilocularis glycine receptor subunit beta 0.0077 0.3736 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Schistosoma mansoni nAChR subunit 0.0077 0.3736 0.3696
Onchocerca volvulus 0.0152 1 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0077 0.3736 1
Trichomonas vaginalis pantothenate kinase, putative 0.0076 0.3655 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0077 0.3736 0.3696
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0077 0.3736 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Toxoplasma gondii fumble protein 0.0076 0.3655 1
Loa Loa (eye worm) LGC-31 protein 0.0077 0.3736 0.3696
Onchocerca volvulus Fumble homolog 0.0076 0.3655 0.2798
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Loa Loa (eye worm) hypothetical protein 0.0046 0.1191 0.1135
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0076 0.3655 0.5
Echinococcus granulosus nAChR subunit 0.0077 0.3736 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0077 0.3736 1
Loa Loa (eye worm) ACC-1 protein 0.0077 0.3736 0.3696
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0077 0.3736 1
Schistosoma mansoni nAChR subunit 0.0077 0.3736 0.3696
Schistosoma mansoni pantothenate kinase 0.0076 0.3655 0.3615
Echinococcus granulosus glycine receptor subunit alpha 1 0.0077 0.3736 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.1191 0.1135
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Onchocerca volvulus Putative nachr subunit 0.0077 0.3736 0.2889
Brugia malayi excitatory GABA receptor EXP-1A 0.0077 0.3736 0.3696
Brugia malayi pantothenate kinase family protein 0.0076 0.3655 0.3615
Schistosoma mansoni pantothenate kinase 0.0076 0.3655 0.3615
Echinococcus multilocularis nAChR subunit 0.0046 0.1191 0.307
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Loa Loa (eye worm) hypothetical protein 0.0046 0.1191 0.1135
Trichomonas vaginalis pantothenate kinase, putative 0.0076 0.3655 1
Echinococcus multilocularis glycine receptor subunit beta 0.0077 0.3736 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0046 0.1191 0.1135
Echinococcus granulosus glycine receptor subunit alpha 1 0.0077 0.3736 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0077 0.3736 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0077 0.3736 0.3696
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0077 0.3736 0.3696
Onchocerca volvulus 0.0077 0.3736 0.2889
Echinococcus granulosus pantothenate kinase 4 0.0076 0.3655 0.9781
Schistosoma mansoni nAChR subunit 0.0077 0.3736 0.3696
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0077 0.3736 0.3696
Echinococcus multilocularis pantothenate kinase 4 0.0076 0.3655 0.9781
Echinococcus granulosus glycine receptor subunit alpha 1 0.0077 0.3736 1
Onchocerca volvulus 0.0152 1 1
Trypanosoma brucei pantothenate kinase subunit, putative 0.0076 0.3655 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0077 0.3736 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0077 0.3736 1
Plasmodium falciparum pantothenate kinase 1, putative 0.0076 0.3655 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0077 0.3736 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0077 0.3736 0.3696
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0077 0.3736 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0077 0.3736 0.3696
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0982 0.2559
Entamoeba histolytica pantothenate kinase 1, putative 0.0076 0.3655 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.3736 0.3696
Plasmodium vivax pantothenate kinase, putative 0.0076 0.3655 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0077 0.3736 0.3696
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0077 0.3736 0.3696
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0077 0.3736 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0077 0.3736 0.3696
Loa Loa (eye worm) hypothetical protein 0.0046 0.1191 0.1135
Trichomonas vaginalis pantothenate kinase, putative 0.0076 0.3655 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0077 0.3736 0.3696

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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