Detailed information for compound 1518505

Basic information

Technical information
  • TDR Targets ID: 1518505
  • Name: 1-(5-phenyl-6-azaspiro[2.4]heptan-6-yl)ethano ne
  • MW: 215.291 | Formula: C14H17NO
  • H donors: 0 H acceptors: 1 LogP: 1.99 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N1CC2(CC1c1ccccc1)CC2
  • InChi: 1S/C14H17NO/c1-11(16)15-10-14(7-8-14)9-13(15)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3
  • InChiKey: HZBDOUQXXHFSFS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • CMLD1_000069
  • UPCMLD00WMAW-1-69
  • SDCCGMLS-0091548.P001
  • NCGC00074322-01

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
Onchocerca volvulus 0.0218 0.5741 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.011 0.1234 0.5
Echinococcus multilocularis ephrin type A receptor 4 A 0.0272 0.8023 0.7744
Brugia malayi ephrin receptor 1 precursor 0.0105 0.1001 0.1001
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.011 0.1234 0.5
Trichomonas vaginalis mercuric reductase, putative 0.011 0.1234 0.5
Toxoplasma gondii thioredoxin reductase 0.0319 1 1
Loa Loa (eye worm) glutathione reductase 0.0319 1 1
Loa Loa (eye worm) TK/EPH protein kinase 0.028 0.8352 0.8118
Echinococcus multilocularis thioredoxin glutathione reductase 0.0319 1 1
Leishmania major trypanothione reductase 0.0319 1 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0319 1 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.5741 0.5135
Giardia lamblia NADH oxidase lateral transfer candidate 0.011 0.1234 0.5
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.011 0.1234 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0319 1 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.011 0.1234 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.011 0.1234 0.1234
Echinococcus granulosus thioredoxin glutathione reductase 0.0319 1 1
Brugia malayi Thioredoxin reductase 0.0319 1 1
Echinococcus granulosus ephrin type A receptor 4 A 0.0272 0.8023 0.7744
Trypanosoma cruzi trypanothione reductase, putative 0.0319 1 1
Treponema pallidum NADH oxidase 0.011 0.1234 0.5
Trichomonas vaginalis glutathione reductase, putative 0.011 0.1234 0.5
Plasmodium vivax glutathione reductase, putative 0.0319 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0319 1 1
Plasmodium falciparum glutathione reductase 0.0319 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.011 0.1234 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.011 0.1234 0.5
Plasmodium falciparum thioredoxin reductase 0.0319 1 1
Schistosoma mansoni ephrin receptor 0.022 0.5842 0.5257
Trypanosoma brucei trypanothione reductase 0.0319 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.011 0.1234 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference

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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