Detailed information for compound 150587

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 382.455 | Formula: C18H30N4O5
  • H donors: 4 H acceptors: 5 LogP: -3.51 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCCC(C(=O)N1C2CCC1C(C2)C(=O)NCCC(=O)O)NC(=O)C
  • InChi: 1S/C18H30N4O5/c1-11(23)21-14(4-2-3-8-19)18(27)22-12-5-6-15(22)13(10-12)17(26)20-9-7-16(24)25/h12-15H,2-10,19H2,1H3,(H,20,26)(H,21,23)(H,24,25)
  • InChiKey: HFFHTHLIMYWDOV-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
Loa Loa (eye worm) hypothetical protein 0.0087 0.0948 0.0948
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0012 0.0012
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0087 0.0948 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0087 0.0948 0.0948
Plasmodium falciparum amino acid transporter, putative 0.0087 0.0948 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0087 0.0948 0.0948
Echinococcus granulosus acetylcholinesterase 0.0113 0.1504 0.1504
Brugia malayi Carboxylesterase family protein 0.0113 0.1504 0.1504
Loa Loa (eye worm) hypothetical protein 0.051 1 1
Plasmodium vivax amine transporter, putative 0.0087 0.0948 0.5
Echinococcus multilocularis acetylcholinesterase 0.0113 0.1504 0.1504
Treponema pallidum sodium- and chloride- dependent transporter 0.051 1 0.5
Brugia malayi hypothetical protein 0.0043 0.0012 0.0012
Loa Loa (eye worm) acetylcholinesterase 1 0.0113 0.1504 0.1504
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0087 0.0948 0.0948
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0113 0.1504 0.1504
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0087 0.0948 0.0948
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0087 0.0948 0.0948
Entamoeba histolytica hypothetical protein 0.0043 0.0012 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0087 0.0948 0.0948
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0087 0.0948 0.0948
Loa Loa (eye worm) hypothetical protein 0.0087 0.0948 0.0948
Schistosoma mansoni hypothetical protein 0.0043 0.0012 0.0012
Loa Loa (eye worm) serotonin transporter b 0.051 1 1
Echinococcus granulosus acetylcholinesterase 0.0113 0.1504 0.1504
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0087 0.0948 0.0948
Loa Loa (eye worm) hypothetical protein 0.0087 0.0948 0.0948
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0087 0.0948 0.0948
Loa Loa (eye worm) hypothetical protein 0.0087 0.0948 0.0948
Loa Loa (eye worm) hypothetical protein 0.051 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0087 0.0948 0.0948
Entamoeba histolytica hypothetical protein 0.0043 0.0012 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0087 0.0948 0.0948
Echinococcus multilocularis sodium and chloride dependent glycine 0.0087 0.0948 0.0948
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0087 0.0948 0.0948
Onchocerca volvulus 0.051 1 1
Loa Loa (eye worm) hypothetical protein 0.027 0.487 0.487
Brugia malayi NNMT/PNMT/TEMT family protein 0.027 0.487 0.487
Loa Loa (eye worm) hypothetical protein 0.0113 0.1504 0.1504
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0087 0.0948 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.051 1 1
Echinococcus multilocularis serotonin transporter 0.051 1 1
Echinococcus granulosus serotonin transporter 0.051 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0087 0.0948 0.0948
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0087 0.0948 0.0948
Entamoeba histolytica hypothetical protein 0.0043 0.0012 0.5
Loa Loa (eye worm) norepinephrine transporter 0.051 1 1
Onchocerca volvulus 0.0087 0.0948 0.0948
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0087 0.0948 0.0948
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0087 0.0948 0.0948
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0087 0.0948 0.0948
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0087 0.0948 0.5
Loa Loa (eye worm) hypothetical protein 0.027 0.487 0.487
Echinococcus multilocularis carboxylesterase 5A 0.0113 0.1504 0.1504
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0087 0.0948 0.0948
Schistosoma mansoni sodium/chloride dependent transporter 0.0087 0.0948 0.0948
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0087 0.0948 0.0948
Toxoplasma gondii hypothetical protein 0.0087 0.0948 0.5
Loa Loa (eye worm) hypothetical protein 0.0087 0.0948 0.0948
Entamoeba histolytica hypothetical protein 0.0043 0.0012 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0087 0.0948 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.051 1 1
Onchocerca volvulus 0.0087 0.0948 0.0948
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0087 0.0948 0.0948
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0012 0.0012
Plasmodium vivax hypothetical protein, conserved 0.0087 0.0948 0.5
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0087 0.0948 0.0948
Loa Loa (eye worm) hypothetical protein 0.0087 0.0948 0.0948
Echinococcus granulosus carboxylesterase 5A 0.0113 0.1504 0.1504
Loa Loa (eye worm) hypothetical protein 0.0113 0.1504 0.1504
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0087 0.0948 0.0948
Brugia malayi Carboxylesterase family protein 0.0113 0.1504 0.1504
Schistosoma mansoni sodium/chloride dependent transporter 0.0087 0.0948 0.0948
Onchocerca volvulus 0.0087 0.0948 0.0948
Echinococcus multilocularis acetylcholinesterase 0.0113 0.1504 0.1504
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0087 0.0948 0.0948
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.051 1 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0087 0.0948 0.0948
Loa Loa (eye worm) carboxylesterase 0.0113 0.1504 0.1504
Schistosoma mansoni sodium-dependent amino acid transporter 0.0087 0.0948 0.0948
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.027 0.487 0.487
Brugia malayi hypothetical protein 0.0087 0.0948 0.0948
Plasmodium falciparum transporter, putative 0.0087 0.0948 0.5
Toxoplasma gondii hypothetical protein 0.0087 0.0948 0.5
Loa Loa (eye worm) hypothetical protein 0.0087 0.0948 0.0948
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.051 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 500 uM Compound was tested for its ability to inhibit the thrombin-induced platelet aggregation in washed human platelets ChEMBL. 9873606
IC50 (functional) > 500 uM Compound was tested for its ability to inhibit the thrombin-induced platelet aggregation in washed human platelets ChEMBL. 9873606

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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