Detailed information for compound 2070297

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 319.399 | Formula: C17H25N3O3
  • H donors: 2 H acceptors: 2 LogP: 2.44 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)NC(=O)CN1CCCC(C1)Cc1ccccc1OC
  • InChi: 1S/C17H25N3O3/c1-18-17(22)19-16(21)12-20-9-5-6-13(11-20)10-14-7-3-4-8-15(14)23-2/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H2,18,19,21,22)
  • InChiKey: RTTQCCAPDRGEJZ-UHFFFAOYSA-N  


Substructure search Similarity search

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
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0177 0.385 0.3036
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.385 0.3036
Loa Loa (eye worm) GABA receptor subunit 0.0206 0.4734 0.4037
Echinococcus granulosus glycine receptor subunit beta 0.0383 1 1
Echinococcus multilocularis nAChR subunit 0.0383 1 1
Brugia malayi Cation transporter family protein 0.0383 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0177 0.385 0.3036
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0143 0.2857 0.5
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0383 1 1
Schistosoma mansoni nAChR subunit 0.0383 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0177 0.385 0.3036
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0177 0.385 0.3036
Loa Loa (eye worm) hypothetical protein 0.0177 0.385 0.3036
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0383 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0206 0.4734 0.4037
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0177 0.385 0.3036
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0383 1 1
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0143 0.2857 0.5
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0177 0.385 0.3036
Echinococcus granulosus glycine receptor subunit alpha 1 0.0383 1 1
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0206 0.4734 0.4037
Brugia malayi hypothetical protein 0.0177 0.385 0.3036
Echinococcus multilocularis nAChR subunit 0.0206 0.4734 0.4037
Brugia malayi glucose-6-phosphate dehydrogenase 0.0143 0.2857 0.1912
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0143 0.2857 0.5
Loa Loa (eye worm) LGC-31 protein 0.0383 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0206 0.4734 0.4037
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0383 1 1
Schistosoma mansoni nAChR subunit 0.0383 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0177 0.385 0.3036
Echinococcus granulosus glycine receptor subunit alpha 1 0.0383 1 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0143 0.2857 1
Brugia malayi hypothetical protein 0.0177 0.385 0.3036
Onchocerca volvulus 0.0383 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0206 0.4734 0.4037
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Echinococcus granulosus glycine receptor subunit beta 0.0383 1 1
Echinococcus granulosus nAChR subunit 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.385 0.3036
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0143 0.2857 0.5
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0383 1 1
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0206 0.4734 0.4037
Echinococcus granulosus nAChR subunit 0.0206 0.4734 0.4037
Schistosoma mansoni nAChR subunit 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Schistosoma mansoni acetylcholine receptor subunit beta 0.0177 0.385 0.3036
Schistosoma mansoni hypothetical protein 0.0174 0.3781 0.2958
Brugia malayi Cation transporter family protein 0.0383 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0206 0.4734 0.4037
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0383 1 1
Schistosoma mansoni nAChR subunit 0.0383 1 1
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0206 0.4734 0.4037
Schistosoma mansoni neurotransmitter gated ion channel 0.0177 0.385 0.3036
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0177 0.385 0.3036
Schistosoma mansoni nAChR subunit 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0383 1 1
Schistosoma mansoni hypothetical protein 0.0174 0.3781 0.2958
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.005 0.0066 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0206 0.4734 0.4037
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Brugia malayi hypothetical protein 0.0177 0.385 0.3036
Brugia malayi hypothetical protein 0.0177 0.385 0.3036
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0177 0.385 0.3036
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0383 1 1
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0143 0.2857 0.1912
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Schistosoma mansoni nAChR subunit 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.385 0.3036
Onchocerca volvulus 0.0383 1 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0206 0.4734 0.4037
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0383 1 1
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0143 0.2857 0.1912
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0206 0.4734 0.4037
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0143 0.2857 0.5
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0177 0.385 0.3036
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0143 0.2857 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0383 1 1
Onchocerca volvulus 0.0383 1 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0206 0.4734 0.4037
Onchocerca volvulus Putative nachr subunit 0.0383 1 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.385 0.3036
Entamoeba histolytica hypothetical protein 0.0206 0.4734 0.5
Schistosoma mansoni nAChR subunit 0.0177 0.385 0.3036
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0383 1 1
Echinococcus multilocularis geminin 0.0174 0.3781 0.2958
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0177 0.385 0.3036
Echinococcus granulosus glycine receptor subunit alpha 1 0.0383 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0206 0.4734 0.4037
Loa Loa (eye worm) hypothetical protein 0.0177 0.385 0.3036
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0143 0.2857 0.1912
Schistosoma mansoni nAChR subunit 0.0383 1 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0383 1 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0383 1 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0383 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.0383 1 1
Schistosoma mansoni acetylcholine receptor-related 0.0177 0.385 0.3036
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0383 1 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0143 0.2857 0.5
Loa Loa (eye worm) hypothetical protein 0.0177 0.385 0.3036
Brugia malayi hypothetical protein 0.0177 0.385 0.3036
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0383 1 1
Onchocerca volvulus 0.0206 0.4734 0.1438
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0383 1 1
Onchocerca volvulus 0.0383 1 1
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0143 0.2857 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0383 1 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0383 1 1
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0143 0.2857 0.5
Loa Loa (eye worm) acetylcholine receptor protein 0.0177 0.385 0.3036
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0383 1 1
Onchocerca volvulus 0.0383 1 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0143 0.2857 1
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0383 1 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.385 0.3036
Loa Loa (eye worm) ACC-1 protein 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0206 0.4734 0.4037
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0177 0.385 0.3036
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0143 0.2857 1
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.385 0.3036
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0383 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.0383 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0383 1 1
Schistosoma mansoni neurotransmitter gated ion channel 0.0177 0.385 0.3036
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0143 0.2857 0.5
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0383 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0383 1 1
Echinococcus granulosus geminin 0.0174 0.3781 0.2958
Loa Loa (eye worm) ACC-1 protein 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.385 0.3036
Loa Loa (eye worm) hypothetical protein 0.0177 0.385 0.3036
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.385 0.3036
Loa Loa (eye worm) hypothetical protein 0.0206 0.4734 0.4037
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.385 0.3036
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0383 1 1
Onchocerca volvulus 0.0206 0.4734 0.1438
Onchocerca volvulus 0.0383 1 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0143 0.2857 0.1912
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0206 0.4734 0.4037
Schistosoma mansoni nAChR subunit 0.0177 0.385 0.3036
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0383 1 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.385 0.3036
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0383 1 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0177 0.385 0.3036
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0206 0.4734 0.4037
Loa Loa (eye worm) hypothetical protein 0.0177 0.385 0.3036
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0383 1 1
Brugia malayi Cation transporter family protein 0.0383 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0383 1 1

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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