Detailed information for compound 1548615

Basic information

Technical information
  • TDR Targets ID: 1548615
  • Name: 3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-o ne
  • MW: 202.292 | Formula: C14H18O
  • H donors: 0 H acceptors: 1 LogP: 3.58 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc2CC(C)(C)CC(=O)c2c(c1)C
  • InChi: 1S/C14H18O/c1-9-5-10(2)13-11(6-9)7-14(3,4)8-12(13)15/h5-6H,7-8H2,1-4H3
  • InChiKey: SHSYEGQDGZAMNV-UHFFFAOYSA-N  

Network

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Synonyms

  • 3,3,6,8-tetramethyltetralin-1-one
  • 3,3,6,8-tetramethyl-1-tetralinone
  • 5409-55-2
  • NSC49097
  • ST5443871
  • 1(2H)-Naphthalenone, 3,4-dihydro-3,3,6,8-tetramethyl-
  • 3,3,6,8-Tetramethyl-1-tetralone
  • 3,3,6,8-Tetramethyl-3,4-dihydro-1(2H)-naphthalenone
  • NSC12484
  • 3,4-Dihydro-3,3,6,8-tetramethylnaphthalen-1(2H)-one
  • EINECS 226-481-9

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
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0185 0.4743 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0355 0.0749
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0355 0.0749
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0355 0.0749
Schistosoma mansoni DNA polymerase eta 0.0038 0.0355 0.0176
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0121 0.2824 0.5626
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0355 0.0749
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0185 0.4743 1
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0185 0.4743 0.4578
Schistosoma mansoni hypothetical protein 0.0336 0.9264 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0355 0.0749
Brugia malayi glucose-6-phosphate dehydrogenase 0.0185 0.4743 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0355 0.0352
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0038 0.0355 0.0052
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0061 0.1044 0.1569
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0201 0.5236 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.0305 0.0121
Trypanosoma brucei DNA polymerase eta, putative 0.0038 0.0355 0.0749
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0038 0.0355 0.0176
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0355 0.0352
Echinococcus granulosus geminin 0.0336 0.9264 0.9241
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0355 0.0749
Loa Loa (eye worm) hypothetical protein 0.0048 0.0651 0.1003
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0064 0.113 1
Echinococcus multilocularis geminin 0.0336 0.9264 0.9241
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0185 0.4743 0.5
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0201 0.5236 1
Schistosoma mansoni hypothetical protein 0.0336 0.9264 1
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0185 0.4743 0.5
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0201 0.5236 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0355 0.0749
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0355 0.0749
Trypanosoma brucei unspecified product 0.0038 0.0355 0.0749
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0185 0.4743 1
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0355 0.0749
Echinococcus multilocularis dna polymerase kappa 0.0038 0.0355 0.0052
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0201 0.5236 1
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0355 0.0352
Echinococcus multilocularis dna polymerase eta 0.0038 0.0355 0.0052
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0059 0.0991 0.1448
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0201 0.5236 1
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0185 0.4743 0.5015
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0651 0.1003
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0305 0.0121
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0355 0.0749
Schistosoma mansoni terminal deoxycytidyl transferase 0.0038 0.0355 0.0176
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0038 0.0355 0.0352
Echinococcus granulosus dna polymerase eta 0.0038 0.0355 0.0052
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0355 0.0749
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0355 0.0749
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0651 0.1003
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0185 0.4743 1
Echinococcus multilocularis expressed protein 0.0361 1 1
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0201 0.5236 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0038 0.0355 0.0052
Brugia malayi hypothetical protein 0.0037 0.0305 0.0241
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0651 0.1003
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0355 0.0749
Entamoeba histolytica deoxycytidyl transferase, putative 0.0038 0.0355 1
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0201 0.5236 1
Echinococcus granulosus dna polymerase kappa 0.0038 0.0355 0.0052
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0185 0.4743 0.4578
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0185 0.4743 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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