Detailed information for compound 38620

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 203.28 | Formula: C13H17NO
  • H donors: 0 H acceptors: 1 LogP: 1.96 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C1(C)C(=O)CCc2c1cccc2)C
  • InChi: 1S/C13H17NO/c1-13(14(2)3)11-7-5-4-6-10(11)8-9-12(13)15/h4-7H,8-9H2,1-3H3
  • InChiKey: PFKHZAFZGZCHEW-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
Schistosoma mansoni septate junction protein 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Schistosoma mansoni hypothetical protein 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0322 1 0.5
Onchocerca volvulus Slit protein homolog 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Echinococcus multilocularis neurogenic locus protein delta 0.0214 0.0421 0.2452
Echinococcus multilocularis neurogenic locus protein delta 0.0214 0.0421 0.2452
Schistosoma mansoni laminin gamma-3 chain 0.0214 0.0421 0.2452
Echinococcus granulosus neurogenic locus notch protein 0.0214 0.0421 0.2452
Echinococcus granulosus neurogenic locus notch protein 0.0214 0.0421 0.2452
Giardia lamblia High cysteine protein 0.0214 0.0421 0.5
Echinococcus granulosus protein jagged 2 0.0214 0.0421 0.2452
Schistosoma mansoni hypothetical protein 0.0214 0.0421 0.2452
Echinococcus granulosus notch 0.0214 0.0421 0.2452
Onchocerca volvulus 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Brugia malayi EGF-like domain containing protein 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Mycobacterium ulcerans thymidylate synthase 0.0229 0.1716 0.5
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0322 1 0.5
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0322 1 0.5
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Schistosoma mansoni notch 0.0214 0.0421 0.2452
Echinococcus granulosus neural cadherin 0.0214 0.0421 0.2452
Toxoplasma gondii EGF family domain-containing protein 0.0214 0.0421 0.0421
Brugia malayi Calcium binding EGF domain containing protein 0.0214 0.0421 0.2452
Onchocerca volvulus 0.0214 0.0421 0.2452
Brugia malayi Muscle positioning protein 4 0.0214 0.0421 0.2452
Loa Loa (eye worm) thymidylate synthase 0.0229 0.1716 1
Echinococcus granulosus neurogenic locus protein delta 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Brugia malayi notch-like transmembrane receptor 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Schistosoma mansoni hypothetical protein 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Echinococcus multilocularis fibropellin Ia 0.0214 0.0421 0.2452
Schistosoma mansoni hypothetical protein 0.0214 0.0421 0.2452
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0229 0.1716 1
Brugia malayi Cadherin domain containing protein 0.0214 0.0421 0.2452
Schistosoma mansoni notch 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Brugia malayi thymidylate synthase 0.0229 0.1716 1
Brugia malayi EGF-like domain containing protein 0.0214 0.0421 0.2452
Onchocerca volvulus Neurogenic locus notch homolog 0.0214 0.0421 0.2452
Echinococcus granulosus protein jagged 1 0.0214 0.0421 0.2452
Schistosoma mansoni notch 0.0214 0.0421 0.2452
Echinococcus granulosus fibropellin Ia 0.0214 0.0421 0.2452
Echinococcus multilocularis fat cadherin tumor suppressor 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Echinococcus granulosus neurogenic locus notch protein 4 0.0214 0.0421 0.2452
Onchocerca volvulus Putative cubilin 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Schistosoma mansoni notch 0.0214 0.0421 0.2452
Schistosoma mansoni slit 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Brugia malayi EGF-like domain containing protein 0.0214 0.0421 0.2452
Schistosoma mansoni hypothetical protein 0.0214 0.0421 0.2452
Loa Loa (eye worm) Notch2 0.0214 0.0421 0.2452
Brugia malayi EGF-like domain containing protein 0.0214 0.0421 0.2452
Schistosoma mansoni hypothetical protein 0.0214 0.0421 0.2452
Echinococcus multilocularis neurogenic locus notch protein 4 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Echinococcus multilocularis slit 2 protein 0.0214 0.0421 0.2452
Onchocerca volvulus 0.0214 0.0421 0.2452
Echinococcus granulosus delta-like protein 1 0.0214 0.0421 0.2452
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0229 0.1716 0.5
Onchocerca volvulus 0.0214 0.0421 0.2452
Schistosoma mansoni cell polarity protein 0.0214 0.0421 0.2452
Brugia malayi Cadherin domain containing protein 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0322 1 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Echinococcus granulosus thymidylate synthase 0.0229 0.1716 1
Echinococcus multilocularis neurogenic locus notch protein 0.0214 0.0421 0.2452
Brugia malayi Calcium binding EGF domain containing protein 0.0214 0.0421 0.2452
Echinococcus granulosus slit 2 protein 0.0214 0.0421 0.2452
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0214 0.0421 0.2452
Echinococcus multilocularis protein jagged 2 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Loa Loa (eye worm) hypothetical protein 0.0214 0.0421 0.2452
Onchocerca volvulus 0.0229 0.1716 1
Schistosoma mansoni notch 0.0214 0.0421 0.2452
Onchocerca volvulus 0.0214 0.0421 0.2452
Brugia malayi EGF-like domain containing protein 0.0214 0.0421 0.2452
Echinococcus multilocularis protein jagged 1 0.0214 0.0421 0.2452
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0214 0.0421 0.2452
Echinococcus multilocularis thymidylate synthase 0.0229 0.1716 1
Brugia malayi Delta serrate ligand family protein 0.0214 0.0421 0.2452
Schistosoma mansoni hypothetical protein 0.0214 0.0421 0.2452
Brugia malayi EGF-like domain containing protein 0.0214 0.0421 0.2452
Echinococcus multilocularis neural cadherin 0.0214 0.0421 0.2452
Schistosoma mansoni notch 0.0214 0.0421 0.2452
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0322 1 0.5
Brugia malayi EGF-like domain containing protein 0.0214 0.0421 0.2452
Echinococcus granulosus protein jagged 2 0.0214 0.0421 0.2452
Echinococcus multilocularis notch 0.0214 0.0421 0.2452
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0229 0.1716 0.5
Echinococcus multilocularis protein jagged 1 0.0214 0.0421 0.2452
Echinococcus granulosus protein jagged 1 0.0214 0.0421 0.2452
Brugia malayi GCC2 and GCC3 family protein 0.0214 0.0421 0.2452
Brugia malayi Calcium binding EGF domain containing protein 0.0214 0.0421 0.2452
Echinococcus multilocularis neurogenic locus notch protein 0.0214 0.0421 0.2452
Loa Loa (eye worm) notch protein 0.0214 0.0421 0.2452

Activities

Activity type Activity value Assay description Source Reference
Counts (functional) = 22.9 min-1 Ability to cause loss of righting reflex in mice represented as no. of counts for each animal for a total of 90 min when 100 mg/kg dose was administered intraperitoneally ChEMBL. 4032437
Counts (functional) = 22.9 min-1 Ability to cause loss of righting reflex in mice represented as no. of counts for each animal for a total of 90 min when 100 mg/kg dose was administered intraperitoneally ChEMBL. 4032437

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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