Detailed information for compound 1704447

Basic information

Technical information
  • TDR Targets ID: 1704447
  • Name: (4-tert-butylphenyl)-cyclopropylmethanone
  • MW: 202.292 | Formula: C14H18O
  • H donors: 0 H acceptors: 1 LogP: 3.73 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)C(C)(C)C)C1CC1
  • InChi: 1S/C14H18O/c1-14(2,3)12-8-6-11(7-9-12)13(15)10-4-5-10/h6-10H,4-5H2,1-3H3
  • InChiKey: XVDLXILLBPXUPJ-UHFFFAOYSA-N  

Network

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Synonyms

  • (4-tert-butylphenyl)-cyclopropyl-methanone
  • 38675-79-5
  • 4-tert-Butylphenyl cyclopropyl ketone
  • EINECS 254-078-8
  • Maybridge1_000126
  • MixCom1_000236
  • NSC163106
  • SBB005773
  • SR-01000004630-2
  • ZINC01038954

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0076 0.1034 0.1034
Plasmodium vivax histone deacetylase, putative 0.0188 0.6494 0.5159
Echinococcus granulosus histone deacetylase 3 0.026 1 1
Brugia malayi Histone deacetylase family protein 0.0188 0.6494 0.6494
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.026 1 1
Loa Loa (eye worm) histone deacetylase 0.0188 0.6494 0.6494
Schistosoma mansoni histone deacetylase 4 5 0.0188 0.6494 0.6494
Schistosoma mansoni hypothetical protein 0.0184 0.6288 0.6288
Schistosoma mansoni histone deacetylase 4 5 0.0188 0.6494 0.6494
Trypanosoma brucei histone deacetylase 1 0.026 1 1
Leishmania major histone deacetylase, putative 0.026 1 1
Plasmodium vivax histone deacetylase 1, putative 0.026 1 1
Toxoplasma gondii histone deacetylase HDAC3 0.026 1 1
Giardia lamblia Histone deacetylase 0.026 1 0.5
Trichomonas vaginalis histone deacetylase, putative 0.026 1 1
Trypanosoma brucei histone deacetylase 4 0.0188 0.6494 0.5159
Loa Loa (eye worm) hypothetical protein 0.0083 0.1361 0.1361
Trypanosoma brucei histone deacetylase, putative 0.0188 0.6494 0.5159
Schistosoma mansoni histone deacetylase 0.026 1 1
Loa Loa (eye worm) histone deacetylase 11 0.0112 0.2758 0.2758
Trypanosoma cruzi histone deacetylase 1, putative 0.026 1 1
Schistosoma mansoni hypothetical protein 0.0056 0.0042 0.0042
Brugia malayi Pre-SET motif family protein 0.0226 0.834 0.834
Echinococcus granulosus histone deacetylase 6 0.0188 0.6494 0.6494
Leishmania major histone deacetylase, putative 0.026 1 1
Toxoplasma gondii histone deacetylase HDAC2 0.026 1 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0112 0.2758 0.2758
Echinococcus granulosus histone deacetylase 6 0.0188 0.6494 0.6494
Trypanosoma brucei histone deacetylase 3 0.0188 0.6494 0.5159
Trichomonas vaginalis histone deacetylase, putative 0.026 1 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.2758 0.2758
Loa Loa (eye worm) histone deacetylase 7A 0.0188 0.6494 0.6494
Trypanosoma cruzi histone deacetylase, putative 0.0188 0.6494 0.5159
Trypanosoma cruzi histone deacetylase 1, putative 0.026 1 1
Entamoeba histolytica histone deacetylase, putative 0.026 1 0.5
Echinococcus granulosus histone deacetylase 0.0188 0.6494 0.6494
Loa Loa (eye worm) histone deacetylase 3 0.026 1 1
Echinococcus granulosus geminin 0.0184 0.6288 0.6288
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.834 0.834
Echinococcus granulosus histone deacetylase 6 0.0195 0.6821 0.6821
Schistosoma mansoni hypothetical protein 0.0184 0.6288 0.6288
Trypanosoma cruzi histone deacetylase, putative 0.0188 0.6494 0.5159
Brugia malayi histone deacetylase 11 0.0112 0.2758 0.2758
Echinococcus multilocularis histone deacetylase 6 0.0188 0.6494 0.6494
Trichomonas vaginalis histone deacetylase, putative 0.026 1 1
Brugia malayi histone deacetylase 1 (HD1) 0.026 1 1
Echinococcus multilocularis histone deacetylase 6 0.0195 0.6821 0.6821
Toxoplasma gondii histone deacetylase HDAC1 0.0188 0.6494 0.5159
Echinococcus multilocularis histone deacetylase 6 0.0188 0.6494 0.6494
Plasmodium vivax histone deacetylase 2, putative 0.0188 0.6494 0.5159
Loa Loa (eye worm) hypothetical protein 0.026 1 1
Onchocerca volvulus 0.0257 0.9866 1
Brugia malayi Histone deacetylase 1 0.026 1 1
Loa Loa (eye worm) histone deacetylase 1 0.026 1 1
Trichomonas vaginalis histone deacetylase, putative 0.026 1 1
Schistosoma mansoni histone deacetylase hda2 0.0195 0.6821 0.6821
Echinococcus granulosus histone deacetylase 1 0.026 1 1
Echinococcus multilocularis histone deacetylase 3 0.026 1 1
Echinococcus multilocularis histone deacetylase 8 0.0112 0.2758 0.2758
Trypanosoma cruzi histone deacetylase, putative 0.0188 0.6494 0.5159
Brugia malayi Histone deacetylase family protein 0.0188 0.6494 0.6494
Trichomonas vaginalis histone deacetylase, putative 0.026 1 1
Echinococcus multilocularis histone deacetylase 7 0.0188 0.6494 0.6494
Echinococcus multilocularis histone deacetylase 1 0.026 1 1
Echinococcus granulosus histone deacetylase 7 0.0188 0.6494 0.6494
Trichomonas vaginalis histone deacetylase, putative 0.026 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.026 1 1
Schistosoma mansoni histone deacetylase 0.026 1 1
Schistosoma mansoni histone deacetylase hda2 0.0112 0.2758 0.2758
Echinococcus granulosus histone deacetylase 8 0.0112 0.2758 0.2758
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.026 1 1
Plasmodium falciparum histone deacetylase 1 0.026 1 1
Echinococcus multilocularis geminin 0.0184 0.6288 0.6288
Echinococcus multilocularis histone deacetylase 0.0188 0.6494 0.6494

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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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