Detailed information for compound 544444

Basic information

Technical information
  • TDR Targets ID: 544444
  • Name: 4,4-dimethyl-1-(4-phenoxyphenyl)pent-1-en-3-o ne
  • MW: 280.361 | Formula: C19H20O2
  • H donors: 0 H acceptors: 1 LogP: 4.96 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C)(C)C)C=Cc1ccc(cc1)Oc1ccccc1
  • InChi: 1S/C19H20O2/c1-19(2,3)18(20)14-11-15-9-12-17(13-10-15)21-16-7-5-4-6-8-16/h4-14H,1-3H3
  • InChiKey: OMBNYCIRAPPYPB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4,4-dimethyl-1-(4-phenoxyphenyl)-1-penten-3-one

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
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.1076 0.1817
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0092 0.0794 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0041 0.0029
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0092 0.0794 0.0788
Loa Loa (eye worm) hypothetical protein 0.0092 0.0794 0.1365
Echinococcus multilocularis lamin 0.0033 0.0181 0.0175
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0041 0.0029
Mycobacterium ulcerans hypothetical protein 0.0092 0.0794 1
Schistosoma mansoni hypothetical protein 0.0049 0.0353 0.0541
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0065 0.5
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0065 0.5
Schistosoma mansoni Fxna peptidase (M28 family) 0.0092 0.0794 0.1304
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0092 0.0794 1
Echinococcus multilocularis musashi 0.0033 0.0181 0.0175
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.014 0.103
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.1095 0.1826
Loa Loa (eye worm) hypothetical protein 0.0021 0.0065 0.0112
Loa Loa (eye worm) hypothetical protein 0.0019 0.0041 0.007
Echinococcus granulosus expressed conserved protein 0.0112 0.1002 0.1713
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0416 0.0715
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0576 0.5816 1
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0576 0.5816 1
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.1606 0.16
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.014 0.5
Schistosoma mansoni lamin 0.0033 0.0181 0.0243
Loa Loa (eye worm) leucyl aminopeptidase 0.0092 0.0794 0.1365
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0416 0.0706
Brugia malayi FXNA 0.0092 0.0794 0.1329
Trypanosoma cruzi glutaminyl cyclase, putative 0.0092 0.0794 0.5
Onchocerca volvulus 0.0033 0.0181 0.0072
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0092 0.0794 0.1304
Loa Loa (eye worm) hypothetical protein 0.0576 0.5816 1
Brugia malayi intermediate filament protein 0.0033 0.0181 0.0271
Leishmania major hypothetical protein, conserved 0.0092 0.0794 1
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0576 0.5816 0.5814
Brugia malayi nicalin 0.0092 0.0794 0.1329
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0416 0.0706
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.014 0.103
Onchocerca volvulus Fxna peptidase homolog 0.0092 0.0794 0.1151
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0372 0.063
Echinococcus granulosus lamin dm0 0.0033 0.0181 0.0301
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.014 0.103
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0181 0.0271
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0794 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.014 0.103
Loa Loa (eye worm) hypothetical protein 0.0021 0.0065 0.0112
Brugia malayi AMP-binding enzyme family protein 0.0029 0.014 0.02
Trypanosoma cruzi glutaminyl cyclase, putative 0.0092 0.0794 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0065 0.0112
Schistosoma mansoni hypothetical protein 0.0049 0.0353 0.0541
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0372 0.0366
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0041 0.0059
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0416 0.041
Loa Loa (eye worm) hypothetical protein 0.0021 0.0065 0.0112
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0468 0.0804
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0416 0.065
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0416 0.065
Onchocerca volvulus Glutaminyl cyclase homolog 0.0576 0.5816 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0041 0.0035
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0041 0.007
Brugia malayi Peptidase family M28 containing protein 0.0576 0.5816 1
Echinococcus multilocularis protein dispatched 1 0.0058 0.0447 0.0441
Onchocerca volvulus Fxna peptidase homolog 0.0092 0.0794 0.1151
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0092 0.0794 0.1355
Loa Loa (eye worm) hypothetical protein 0.0092 0.0794 0.1365
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0416 0.0677
Mycobacterium tuberculosis Conserved protein 0.0092 0.0794 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0416 0.041
Loa Loa (eye worm) hypothetical protein 0.0092 0.0794 0.1365
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0794 1
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0092 0.0794 0.1355
Loa Loa (eye worm) hypothetical protein 0.0051 0.0372 0.064
Brugia malayi leucyl aminopeptidase 0.0092 0.0794 0.1329
Echinococcus granulosus intermediate filament protein 0.0033 0.0181 0.0301
Schistosoma mansoni hypothetical protein 0.0041 0.027 0.0397
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.014 0.1177
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0092 0.0794 1
Echinococcus multilocularis protein patched 0.0051 0.0372 0.0366
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.014 0.103
Loa Loa (eye worm) hypothetical protein 0.0016 0.0006 0.0011
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.027 0.0425
Toxoplasma gondii hypothetical protein 0.0092 0.0794 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0092 0.0794 0.1151
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0468 0.0766
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0372 0.064
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.1606 0.2753
Mycobacterium ulcerans hypothetical protein 0.0029 0.014 0.103
Loa Loa (eye worm) hypothetical protein 0.0032 0.0175 0.03
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0092 0.0794 0.1304
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0092 0.0794 0.0788
Echinococcus multilocularis expressed conserved protein 0.0112 0.1002 0.0996
Echinococcus granulosus GPCR family 2 0.0019 0.0041 0.0059
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.014 0.103
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0092 0.0794 0.0788
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0794 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.014 0.103
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0468 0.0766
Schistosoma mansoni patched 1 0.0051 0.0372 0.0574
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0041 0.0059
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0024 0.0041
Brugia malayi CHE-14 protein 0.0051 0.0372 0.0601
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.014 0.1177
Schistosoma mansoni hypothetical protein 0.0049 0.0353 0.0541
Schistosoma mansoni lamin 0.0033 0.0181 0.0243
Leishmania major glutaminyl cyclase, putative 0.0092 0.0794 1
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0372 0.063
Loa Loa (eye worm) hypothetical protein 0.006 0.0468 0.0804
Loa Loa (eye worm) hypothetical protein 0.0029 0.014 0.0241
Echinococcus multilocularis lamin dm0 0.0033 0.0181 0.0175
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.1076 0.1071
Onchocerca volvulus 0.0033 0.0181 0.0072
Loa Loa (eye worm) hypothetical protein 0.0041 0.027 0.0464
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0416 0.065
Toxoplasma gondii peptidase, M28 family protein 0.0092 0.0794 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.014 0.0241
Loa Loa (eye worm) hypothetical protein 0.0021 0.0065 0.0112
Schistosoma mansoni intermediate filament proteins 0.0033 0.0181 0.0243
Schistosoma mansoni nicalin (M28 family) 0.0092 0.0794 0.1304
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.1076 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0181 0.0311
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0041 0.0035
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.1076 0.1842
Onchocerca volvulus 0.0092 0.0794 0.1151
Loa Loa (eye worm) hypothetical protein 0.0033 0.0181 0.0311
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0181 0.0311
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.014 0.5
Brugia malayi AMP-binding enzyme family protein 0.0029 0.014 0.02
Trypanosoma brucei glutaminyl cyclase, putative 0.0092 0.0794 0.5
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0065 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.0353 0.0541
Loa Loa (eye worm) hypothetical protein 0.0092 0.0794 0.1365
Loa Loa (eye worm) hypothetical protein 0.0062 0.0491 0.0845
Echinococcus granulosus lamin 0.0033 0.0181 0.0301
Loa Loa (eye worm) hypothetical protein 0.0029 0.014 0.0241
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0065 0.0164
Brugia malayi AMP-binding enzyme family protein 0.0029 0.014 0.02
Loa Loa (eye worm) hypothetical protein 0.0119 0.1076 0.185
Echinococcus multilocularis GPCR, family 2 0.0019 0.0041 0.0035

Activities

No activities found for this compound.

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.