Detailed information for compound 780040

Basic information

Technical information
  • TDR Targets ID: 780040
  • Name: 2-cyclopentyl-5-[[4-(trifluoromethyl)phenyl]m ethylidene]cyclopentan-1-one
  • MW: 308.338 | Formula: C18H19F3O
  • H donors: 0 H acceptors: 1 LogP: 5.57 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(c1ccc(cc1)C=C1CCC(C1=O)C1CCCC1)(F)F
  • InChi: 1S/C18H19F3O/c19-18(20,21)15-8-5-12(6-9-15)11-14-7-10-16(17(14)22)13-3-1-2-4-13/h5-6,8-9,11,13,16H,1-4,7,10H2/b14-11+
  • InChiKey: IJIZPDDJBJFYIT-SDNWHVSQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-cyclopentyl-5-[[4-(trifluoromethyl)phenyl]methylene]cyclopentan-1-one
  • 2-cyclopentyl-5-[[4-(trifluoromethyl)phenyl]methylene]-1-cyclopentanone
  • 2-cyclopentyl-5-[4-(trifluoromethyl)benzylidene]cyclopentan-1-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
Mycobacterium tuberculosis Conserved protein 0.0035 0.078 0.016
Schistosoma mansoni carbonic anhydrase 0.0054 0.1693 0.6909
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.2079 0.3407
Loa Loa (eye worm) hypothetical protein 0.0035 0.078 0.1454
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0054 0.1693 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0813 0.0361
Loa Loa (eye worm) hypothetical protein 0.0054 0.1693 0.3156
Loa Loa (eye worm) hypothetical protein 0.0046 0.1317 0.2456
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2079 0.8585
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0054 0.1693 0.6909
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.1693 0.2631
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0813 1
Brugia malayi beta-lactamase family protein 0.0035 0.078 0.0798
Loa Loa (eye worm) hypothetical protein 0.0041 0.1092 0.2035
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1697 0.264
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.1693 0.2631
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0257 0.0739
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.078 0.016
Loa Loa (eye worm) hypothetical protein 0.0035 0.078 0.1454
Loa Loa (eye worm) hypothetical protein 0.0076 0.2797 0.5216
Loa Loa (eye worm) hypothetical protein 0.0054 0.1697 0.3164
Brugia malayi Inositol-1 0.0036 0.0813 0.0864
Trypanosoma brucei carbonic anhydrase-like protein 0.0054 0.1693 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.078 0.2946
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.1693 0.6909
Schistosoma mansoni inositol monophosphatase 0.0036 0.0813 0.3089
Loa Loa (eye worm) hypothetical protein 0.0037 0.0865 0.1613
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.078 0.016
Loa Loa (eye worm) hypothetical protein 0.0035 0.078 0.1454
Plasmodium falciparum carbonic anhydrase 0.0054 0.1693 0.5
Brugia malayi RNA binding protein 0.0062 0.2079 0.3407
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.1693 0.2631
Brugia malayi TAR-binding protein 0.0062 0.2079 0.3407
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0813 0.3365
Schistosoma mansoni hypothetical protein 0.0037 0.0865 0.3318
Mycobacterium tuberculosis Conserved protein 0.0035 0.078 0.016
Echinococcus granulosus carbonic anhydrase II 0.0054 0.1693 0.7525
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2079 0.8585
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0813 0.0361
Brugia malayi beta-lactamase family protein 0.0035 0.078 0.0798
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0054 0.1693 0.6909
Onchocerca volvulus 0.0035 0.078 0.5
Leishmania major carbonic anhydrase-like protein 0.0054 0.1693 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0963 0.4076
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0865 0.097
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1697 0.264
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0813 0.3365
Loa Loa (eye worm) beta-lactamase 0.0035 0.078 0.1454
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0813 1
Echinococcus granulosus carbonic anhydrase 0.0054 0.1693 0.7525
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0054 0.1693 0.3156
Schistosoma mansoni inositol monophosphatase 0.0036 0.0813 0.3089
Loa Loa (eye worm) hypothetical protein 0.0035 0.078 0.1454
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0813 0.0361
Loa Loa (eye worm) carbonic anhydrase 3 0.0054 0.1693 0.3156
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0813 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0813 0.0361
Toxoplasma gondii hypothetical protein 0.0054 0.1693 1
Loa Loa (eye worm) inositol-1 0.0036 0.0813 0.1515
Brugia malayi Bromodomain containing protein 0.0081 0.3023 0.5302
Loa Loa (eye worm) TAR-binding protein 0.0062 0.2079 0.3876
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.2216 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.2079 0.9351
Echinococcus multilocularis carbonic anhydrase 0.0054 0.1693 0.7525
Mycobacterium leprae conserved hypothetical protein 0.0035 0.078 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0963 0.4076
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.078 0.3209
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.078 0.0798
Brugia malayi MH2 domain containing protein 0.0129 0.5363 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.1216 0.2268
Schistosoma mansoni hypothetical protein 0.0022 0.0156 0.0242
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0813 0.0361
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.078 0.3209
Echinococcus multilocularis carbonic anhydrase II 0.0054 0.1693 0.7525
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.078 0.1454
Echinococcus multilocularis carbonic anhydrase 0.0054 0.1693 0.7525
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0813 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.1693 0.3156
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0054 0.1693 0.2631
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.078 0.016
Echinococcus granulosus carbonic anhydrase 0.0054 0.1693 0.7525
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.2216 1
Echinococcus multilocularis carbonic anhydrase 0.0054 0.1693 0.7525
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2079 0.8585
Plasmodium vivax hypothetical protein, conserved 0.0035 0.078 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1697 0.3164
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.1693 0.6909
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.1693 0.6909
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2079 0.8585
Loa Loa (eye worm) hypothetical protein 0.0035 0.078 0.1454
Mycobacterium leprae Probable lipase LipE 0.0035 0.078 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.2079 0.3876
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0054 0.1693 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0054 0.1693 0.2631
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0813 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0813 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0156 0.0292
Loa Loa (eye worm) hypothetical protein 0.0054 0.1693 0.3156
Schistosoma mansoni hypothetical protein 0.0054 0.1693 0.6909
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0054 0.1693 0.2631
Brugia malayi beta-lactamase 0.0035 0.078 0.0798
Mycobacterium tuberculosis Conserved protein 0.0035 0.078 0.016
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.2079 0.3876
Onchocerca volvulus 0.0035 0.078 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.078 0.1454
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0054 0.1693 0.3156
Echinococcus granulosus carbonic anhydrase 0.0054 0.1693 0.7525
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2079 0.8585
Echinococcus granulosus tar DNA binding protein 0.0062 0.2079 0.9351
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.078 0.016
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.078 0.2946
Brugia malayi Bromodomain containing protein 0.0041 0.1088 0.1417
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.078 0.016
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.5363 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0257 0.0739
Onchocerca volvulus 0.0035 0.078 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.1693 0.2631
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.078 0.016
Schistosoma mansoni bromodomain containing protein 0.0068 0.2405 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.078 0.016
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0257 0.0679
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.5363 1

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.

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