Detailed information for compound 809178

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 462.025 | Formula: C25H36ClN3O3
  • H donors: 1 H acceptors: 1 LogP: 3.69 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCC(N1CC1(CCCC1)N1CCCCC1)CCNCc1cc2OCOc2cc1Cl
  • InChi: 1S/C25H36ClN3O3/c26-21-15-23-22(31-18-32-23)14-19(21)16-27-11-8-20-6-7-24(30)29(20)17-25(9-2-3-10-25)28-12-4-1-5-13-28/h14-15,20,27H,1-13,16-18H2
  • InChiKey: LAHFRGNEJCFUMJ-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
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0043 0.1431 0.1431
Loa Loa (eye worm) hypothetical protein 0.0033 0.1024 0.1024
Brugia malayi Hint module family protein 0.0052 0.1793 0.1793
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0043 0.1431 0.1431
Loa Loa (eye worm) hypothetical protein 0.0015 0.0302 0.0302
Treponema pallidum sodium- and chloride- dependent transporter 0.0253 1 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0043 0.1431 0.1431
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.4393 0.4393
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0302 0.0302
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1647 0.1647
Loa Loa (eye worm) norepinephrine transporter 0.0253 1 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1431 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.4393 0.4393
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0043 0.1431 0.5
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0043 0.1431 0.1431
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0302 0.0302
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0043 0.1431 0.1431
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0043 0.1431 0.1431
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0043 0.1431 0.1431
Echinococcus multilocularis serotonin transporter 0.0253 1 1
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0043 0.1431 0.1431
Toxoplasma gondii hypothetical protein 0.0043 0.1431 0.5
Loa Loa (eye worm) hypothetical protein 0.0253 1 1
Loa Loa (eye worm) serotonin transporter b 0.0253 1 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0043 0.1431 0.1431
Plasmodium falciparum amino acid transporter, putative 0.0043 0.1431 0.5
Schistosoma mansoni hypothetical protein 0.0139 0.5349 0.5349
Onchocerca volvulus 0.0253 1 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0043 0.1431 0.1431
Brugia malayi MH2 domain containing protein 0.0115 0.4393 0.4393
Schistosoma mansoni hypothetical protein 0.0015 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0043 0.1431 0.1431
Echinococcus granulosus sodium and chloride dependent glycine 0.0043 0.1431 0.1431
Loa Loa (eye worm) hypothetical protein 0.0253 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0043 0.1431 0.1431
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0043 0.1431 0.1431
Echinococcus multilocularis sodium and chloride dependent glycine 0.0043 0.1431 0.1431
Schistosoma mansoni hypothetical protein 0.0015 0.0302 0.0302
Schistosoma mansoni sodium/chloride dependent transporter 0.0043 0.1431 0.1431
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0043 0.1431 0.1431
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0043 0.1431 0.1431
Schistosoma mansoni sodium/chloride dependent transporter 0.0253 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0043 0.1431 0.1431
Loa Loa (eye worm) hypothetical protein 0.0048 0.1647 0.1647
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0302 0.0302
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0302 0.0302
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0043 0.1431 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1431 0.1431
Schistosoma mansoni hypothetical protein 0.0033 0.1024 0.1024
Toxoplasma gondii hypothetical protein 0.0043 0.1431 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1024 0.1024
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0043 0.1431 0.1431
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0043 0.1431 0.1431
Echinococcus multilocularis GPCR, family 2 0.0015 0.0302 0.0302
Echinococcus granulosus Desert hedgehog protein 0.019 0.7463 0.7463
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1647 0.1647
Echinococcus granulosus GPCR family 2 0.0015 0.0302 0.0302
Echinococcus granulosus serotonin transporter 0.0253 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0302 0.0302
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0043 0.1431 0.1431
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0043 0.1431 0.1431
Loa Loa (eye worm) hypothetical protein 0.0253 1 1
Schistosoma mansoni hypothetical protein 0.0015 0.0302 0.0302
Echinococcus multilocularis hedgehog 0.019 0.7463 0.7463
Plasmodium falciparum transporter, putative 0.0043 0.1431 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0043 0.1431 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0043 0.1431 0.1431
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0043 0.1431 0.1431
Brugia malayi hypothetical protein 0.0043 0.1431 0.1431
Plasmodium vivax amine transporter, putative 0.0043 0.1431 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0043 0.1431 0.1431
Brugia malayi Hint module family protein 0.0052 0.1793 0.1793
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0043 0.1431 0.1431
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0253 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1647 0.1647
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0043 0.1431 0.1431
Loa Loa (eye worm) hypothetical protein 0.0043 0.1431 0.1431
Loa Loa (eye worm) solute carrier family 6 member 4 0.0253 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0043 0.1431 0.1431
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0043 0.1431 0.1431
Loa Loa (eye worm) hypothetical protein 0.0052 0.1793 0.1793
Loa Loa (eye worm) hypothetical protein 0.0043 0.1431 0.1431
Loa Loa (eye worm) hypothetical protein 0.0052 0.1793 0.1793
Loa Loa (eye worm) hypothetical protein 0.0043 0.1431 0.1431
Schistosoma mansoni sodium/chloride dependent transporter 0.0043 0.1431 0.1431
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0043 0.1431 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.0302 0.0302

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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