Detailed information for compound 2071994

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 319.445 | Formula: C17H29N5O
  • H donors: 0 H acceptors: 3 LogP: 1.61 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCCCC1)CCN1CCCC1Cn1nc(nc1C)C
  • InChi: 1S/C17H29N5O/c1-14-18-15(2)22(19-14)13-16-7-6-11-20(16)12-8-17(23)21-9-4-3-5-10-21/h16H,3-13H2,1-2H3
  • InChiKey: UYGVUJJVAUCSPP-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
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.2255 0.738 0.738
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.018 0.0573 0.5
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.018 0.0573 0.0777
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.018 0.0573 0.0777
Brugia malayi Sodium:neurotransmitter symporter family protein 0.018 0.0573 0.0573
Echinococcus multilocularis vesicular acetylcholine transporter 0.2255 0.738 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.018 0.0573 0.0777
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.018 0.0573 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0063 0.0063
Brugia malayi vesicular acetylcholine transporter unc-17 0.2255 0.738 0.738
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.018 0.0573 0.0777
Schistosoma mansoni sodium/chloride dependent transporter 0.018 0.0573 0.0777
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.018 0.0573 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.018 0.0573 0.0777
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.018 0.0573 0.0777
Schistosoma mansoni sodium-dependent amino acid transporter 0.018 0.0573 0.0777
Plasmodium vivax amine transporter, putative 0.018 0.0573 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.018 0.0573 0.0573
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0029 0.0076 0.0076
Echinococcus multilocularis voltage gated potassium channel 0.0008 0.0009 0.0012
Plasmodium vivax hypothetical protein, conserved 0.018 0.0573 0.5
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0008 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.1561 0.5102 0.5102
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.018 0.0573 0.0777
Loa Loa (eye worm) hypothetical protein 0.0008 0.0009 0.0009
Schistosoma mansoni voltage-gated potassium channel 0.0031 0.0085 0.0115
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.018 0.0573 0.0777
Loa Loa (eye worm) hypothetical protein 0.018 0.0573 0.0573
Schistosoma mansoni vesicular acetylcholine transporter 0.2255 0.738 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0027 0.007 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0927 0.3023 0.3023
Loa Loa (eye worm) hypothetical protein 0.018 0.0573 0.0573
Toxoplasma gondii hypothetical protein 0.018 0.0573 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.018 0.0573 0.0777
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.018 0.0573 0.0573
Loa Loa (eye worm) hypothetical protein 0.0927 0.3023 0.3023
Treponema pallidum sodium- and chloride- dependent transporter 0.018 0.0573 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.018 0.0573 0.0777
Plasmodium falciparum transporter, putative 0.018 0.0573 0.5
Loa Loa (eye worm) norepinephrine transporter 0.018 0.0573 0.0573
Schistosoma mansoni sodium/chloride dependent transporter 0.0927 0.3023 0.4096
Schistosoma mansoni sodium/chloride dependent transporter 0.0927 0.3023 0.4096
Plasmodium falciparum amino acid transporter, putative 0.018 0.0573 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.3053 1 0.5
Leishmania major C-8 sterol isomerase-like protein 0.3053 1 0.5
Brugia malayi hypothetical protein 0.018 0.0573 0.0573
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.0006 0.0001 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0029 0.0076 0.0103
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.018 0.0573 0.0777
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.018 0.0573 0.0777
Echinococcus granulosus sodium and chloride dependent glycine 0.0927 0.3023 0.4096
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.018 0.0573 0.0777
Echinococcus granulosus sodium and chloride dependent glycine 0.0927 0.3023 0.4096
Loa Loa (eye worm) hypothetical protein 0.018 0.0573 0.0573
Echinococcus multilocularis serotonin transporter 0.018 0.0573 0.0777
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.018 0.0573 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.0573 0.0573
Echinococcus granulosus serotonin transporter 0.018 0.0573 0.0777
Echinococcus multilocularis sodium and chloride dependent glycine 0.0927 0.3023 0.4096
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0927 0.3023 0.3023
Loa Loa (eye worm) serotonin transporter b 0.018 0.0573 0.0573
Toxoplasma gondii hypothetical protein 0.018 0.0573 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.0573 0.0573
Echinococcus granulosus uncharacterized sodium dependent transporter 0.018 0.0573 0.0777
Mycobacterium ulcerans transmembrane transport protein 0.0006 0.0001 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0029 0.0076 0.0076
Schistosoma mansoni voltage-gated potassium channel 0.0008 0.0009 0.0012
Brugia malayi Sodium:neurotransmitter symporter family protein 0.018 0.0573 0.0573
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.018 0.0573 0.0777
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0029 0.0076 0.0103
Schistosoma mansoni voltage-gated potassium channel 0.0008 0.0009 0.0012
Loa Loa (eye worm) hypothetical protein 0.018 0.0573 0.0573
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0008 0.0009 0.0012
Echinococcus granulosus vesicular acetylcholine transporter 0.2255 0.738 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0927 0.3023 0.4096
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0027 0.007 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0008 0.0009 0.0012
Trypanosoma cruzi C-8 sterol isomerase, putative 0.3053 1 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.0573 0.0573
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.018 0.0573 0.0573
Schistosoma mansoni voltage-gated potassium channel 0.0031 0.0085 0.0115
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.018 0.0573 0.0777
Loa Loa (eye worm) hypothetical protein 0.3053 1 1
Loa Loa (eye worm) hypothetical protein 0.0927 0.3023 0.3023
Brugia malayi Sodium:neurotransmitter symporter family protein 0.018 0.0573 0.0573
Echinococcus granulosus voltage gated potassium channel 0.0008 0.0009 0.0012
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.2255 0.738 1
Loa Loa (eye worm) hypothetical protein 0.018 0.0573 0.0573

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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