Detailed information for compound 2070336

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 304.387 | Formula: C16H24N4O2
  • H donors: 0 H acceptors: 2 LogP: 1.98 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1onc(n1)C(C)C)N1CCN(CC1)Cc1ccco1
  • InChi: 1S/C16H24N4O2/c1-12(2)15-17-16(22-18-15)13(3)20-8-6-19(7-9-20)11-14-5-4-10-21-14/h4-5,10,12-13H,6-9,11H2,1-3H3
  • InChiKey: SYXOFQNXWDPWEA-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Onchocerca volvulus 0.0115 0.5308 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Loa Loa (eye worm) hypothetical protein 0.0062 0.1132 0.0984
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0144 0.7557 0.7447
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0115 0.5308 0.6844
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0115 0.5308 0.5097
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0115 0.5308 0.5097
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0115 0.5308 0.6844
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0115 0.5308 0.5097
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0115 0.5308 0.5097
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0115 0.5308 0.6844
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0115 0.5308 0.6844
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0115 0.5308 0.5097
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0115 0.5308 0.6844
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0144 0.7557 0.7447
Echinococcus multilocularis glycine receptor subunit beta 0.0115 0.5308 0.5097
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0144 0.7557 0.5
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Brugia malayi Cation transporter family protein 0.0115 0.5308 0.6844
Schistosoma mansoni nAChR subunit 0.0115 0.5308 0.5097
Loa Loa (eye worm) hypothetical protein 0.0062 0.1132 0.0984
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Onchocerca volvulus 0.0115 0.5308 1
Echinococcus granulosus nAChR subunit 0.0115 0.5308 0.5097
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0115 0.5308 0.6844
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0115 0.5308 0.5097
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0115 0.5308 0.5097
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0062 0.1132 0.0733
Echinococcus granulosus glycine receptor subunit alpha 1 0.0115 0.5308 0.5097
Loa Loa (eye worm) hypothetical protein 0.0062 0.1132 0.0984
Brugia malayi Cation transporter family protein 0.0115 0.5308 0.6844
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Schistosoma mansoni nAChR subunit 0.0115 0.5308 0.5097
Entamoeba histolytica hypothetical protein 0.0062 0.1132 0.5
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0144 0.7557 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0115 0.5308 0.5097
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0115 0.5308 0.5097
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0115 0.5308 0.5097
Schistosoma mansoni nAChR subunit 0.0115 0.5308 0.5097
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0115 0.5308 0.6844
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0144 0.7557 0.5
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0144 0.7557 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0144 0.7557 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0115 0.5308 0.5097
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0115 0.5308 0.6844
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0115 0.5308 0.5097
Schistosoma mansoni hypothetical protein 0.0175 1 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0062 0.1132 0.0984
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0144 0.7557 0.7447
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0115 0.5308 0.5097
Schistosoma mansoni nAChR subunit 0.0115 0.5308 0.5097
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0062 0.1132 0.0984
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0144 0.7557 0.5
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0115 0.5308 0.6844
Echinococcus granulosus glycine receptor subunit beta 0.0115 0.5308 0.5097
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0115 0.5308 0.6844
Loa Loa (eye worm) ACC-1 protein 0.0115 0.5308 0.6844
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Echinococcus multilocularis nAChR subunit 0.0115 0.5308 0.5097
Loa Loa (eye worm) hypothetical protein 0.0062 0.1132 0.0984
Onchocerca volvulus 0.0115 0.5308 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0115 0.5308 0.5097
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0115 0.5308 0.5097
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0115 0.5308 0.6844
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0062 0.1132 0.0984
Loa Loa (eye worm) hypothetical protein 0.0062 0.1132 0.0984
Echinococcus multilocularis nAChR subunit 0.0062 0.1132 0.0733
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0115 0.5308 0.5097
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0115 0.5308 0.6844
Brugia malayi excitatory GABA receptor EXP-1A 0.0115 0.5308 0.6844
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0115 0.5308 0.6844
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0115 0.5308 0.5097
Schistosoma mansoni nAChR subunit 0.0115 0.5308 0.5097
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.005 0.0176 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.1132 0.0984
Echinococcus granulosus nAChR subunit 0.0062 0.1132 0.0733
Echinococcus granulosus glycine receptor subunit alpha 1 0.0115 0.5308 0.5097
Echinococcus multilocularis glycine receptor subunit beta 0.0115 0.5308 0.5097
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0115 0.5308 0.6844
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0144 0.7557 0.5
Onchocerca volvulus 0.0062 0.1132 0.1438
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0115 0.5308 0.5097
Echinococcus multilocularis geminin 0.0175 1 1
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0144 0.7557 0.5
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0115 0.5308 0.6844
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0062 0.1132 0.0984
Loa Loa (eye worm) LGC-31 protein 0.0115 0.5308 0.6844
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0115 0.5308 0.5097
Loa Loa (eye worm) hypothetical protein 0.0062 0.1132 0.0984
Echinococcus granulosus glycine receptor subunit beta 0.0115 0.5308 0.5097
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0115 0.5308 0.6844
Brugia malayi Cation transporter family protein 0.0115 0.5308 0.6844
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0144 0.7557 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0115 0.5308 0.6844
Echinococcus granulosus glycine receptor subunit alpha 1 0.0115 0.5308 0.5097
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Onchocerca volvulus 0.0115 0.5308 1
Onchocerca volvulus Putative nachr subunit 0.0115 0.5308 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0115 0.5308 0.6844
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0144 0.7557 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0115 0.5308 0.6844
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0144 0.7557 0.5
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0144 0.7557 0.5
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0062 0.1132 0.0733
Schistosoma mansoni hypothetical protein 0.0175 1 1
Onchocerca volvulus 0.0115 0.5308 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0115 0.5308 0.5097
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0115 0.5308 0.5097
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0115 0.5308 0.5097
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0115 0.5308 0.6844
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0115 0.5308 0.5097
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0115 0.5308 0.5097
Loa Loa (eye worm) GABA receptor subunit 0.0062 0.1132 0.0984
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0144 0.7557 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0115 0.5308 0.6844
Onchocerca volvulus 0.0115 0.5308 1
Brugia malayi glucose-6-phosphate dehydrogenase 0.0144 0.7557 1
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0144 0.7557 0.5
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Schistosoma mansoni neurotransmitter gated ion channel 0.0062 0.1132 0.0733
Onchocerca volvulus 0.0062 0.1132 0.1438
Loa Loa (eye worm) hypothetical protein 0.0062 0.1132 0.0984
Loa Loa (eye worm) ACC-1 protein 0.0115 0.5308 0.6844
Schistosoma mansoni nAChR subunit 0.0115 0.5308 0.5097
Loa Loa (eye worm) hypothetical protein 0.0115 0.5308 0.6844
Schistosoma mansoni nAChR subunit 0.0115 0.5308 0.5097
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0115 0.5308 0.6844
Loa Loa (eye worm) hypothetical protein 0.0062 0.1132 0.0984

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.