Detailed information for compound 1938389

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 329.397 | Formula: C17H23N5O2
  • H donors: 0 H acceptors: 3 LogP: 0.6 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(=O)N1CCN(c2c(C1)ccc(n2)C)CCn1cccn1
  • InChi: 1S/C17H23N5O2/c1-14-4-5-15-12-21(16(23)13-24-2)9-8-20(17(15)19-14)10-11-22-7-3-6-18-22/h3-7H,8-13H2,1-2H3
  • InChiKey: XTYNEDKKJWEUJH-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
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0611 0.2405
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0006 0.0023
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0006 0.0006
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0108 0.0424
Schistosoma mansoni hypothetical protein 0.0035 0.0387 0.0387
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0006 0.0006
Brugia malayi MH2 domain containing protein 0.0127 0.1714 0.6742
Brugia malayi hypothetical protein 0.0051 0.0612 0.2406
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0006 0.0006
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0006 0.0006
Brugia malayi isocitrate dehydrogenase 0.0049 0.058 0.2282
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0049 0.058 0.058
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0009 0.0006 0.0023
Loa Loa (eye worm) hypothetical protein 0.0009 0.0006 0.0023
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0185 0.2542 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0006 0.0023
Treponema pallidum hypothetical protein 0.0292 0.4091 0.5
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0016 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0016 0.0108 0.0424
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0049 0.058 0.058
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0006 0.0023
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.1714 0.6742
Loa Loa (eye worm) hypothetical protein 0.0185 0.2542 1
Schistosoma mansoni dishevelled 0.0009 0.0006 0.0006
Trypanosoma cruzi PAB1-binding protein , putative 0.0079 0.1016 1
Schistosoma mansoni hypothetical protein 0.0035 0.0378 0.0378
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0035 0.0387 0.0387
Plasmodium vivax ataxin-2 like protein, putative 0.0079 0.1016 0.1242
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0006 0.0006
Brugia malayi Isocitrate dehydrogenase 0.0049 0.058 0.2282
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0006 0.0006
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0108 0.0108
Schistosoma mansoni dishevelled 0.0009 0.0006 0.0006
Plasmodium falciparum ataxin-2 like protein, putative 0.0079 0.1016 0.1242
Brugia malayi hypothetical protein 0.0079 0.1016 0.3997
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.058 0.5682
Schistosoma mansoni dep domain containing protein 0.0009 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0051 0.0611 0.2405
Schistosoma mansoni hypothetical protein 0.0016 0.0108 0.0108
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.058 0.058
Schistosoma mansoni hypothetical protein 0.0701 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0108 0.0108
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0006 0.0006
Brugia malayi hypothetical protein 0.0009 0.0006 0.0023
Leishmania major hypothetical protein, conserved 0.0079 0.1016 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0049 0.058 0.058
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0006 0.0023
Toxoplasma gondii LsmAD domain-containing protein 0.0079 0.1016 1
Brugia malayi N-terminal motif family protein 0.0185 0.2542 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0611 0.2405
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0108 0.0424
Plasmodium falciparum ataxin-2 like protein, putative 0.0079 0.1016 0.1242
Echinococcus multilocularis GPCR, family 2 0.0016 0.0108 0.0108
Trypanosoma cruzi PAB1-binding protein , putative 0.0079 0.1016 1
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0292 0.4091 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0108 0.0108
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0006 0.0006
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0378 0.1488
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0049 0.058 0.058
Loa Loa (eye worm) hypothetical protein 0.0009 0.0006 0.0023
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0006 0.0006
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0292 0.4091 0.5
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0108 0.0424
Schistosoma mansoni hypothetical protein 0.0701 1 1
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0292 0.4091 1
Echinococcus granulosus GPCR family 2 0.0016 0.0108 0.0108
Trypanosoma brucei PAB1-binding protein , putative 0.0079 0.1016 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0611 0.2405
Schistosoma mansoni hypothetical protein 0.0016 0.0108 0.0108
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0292 0.4091 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.1714 0.6742
Brugia malayi hypothetical protein 0.0009 0.0006 0.0023
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.058 0.058
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.058 0.058
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0035 0.0387 0.0387
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0292 0.4091 0.5
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0006 0.0023
Echinococcus multilocularis geminin 0.0701 1 1
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0006 0.0006
Loa Loa (eye worm) isocitrate dehydrogenase 0.0049 0.058 0.2282
Loa Loa (eye worm) hypothetical protein 0.0079 0.1016 0.3997
Loa Loa (eye worm) hypothetical protein 0.0035 0.0378 0.1488
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0006 0.0006
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0016 0.0108 0.0108
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.058 0.5682
Brugia malayi DIX domain containing protein 0.0009 0.0006 0.0023

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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