Detailed information for compound 2089457

Basic information

Technical information
  • TDR Targets ID: 2089457
  • Name: Phenylmethyl 2-methylpropanoate
  • MW: 178.228 | Formula: C11H14O2
  • H donors: 0 H acceptors: 1 LogP: 2.65 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(=O)OCc1ccccc1)C
  • InChi: 1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
  • InChiKey: UIKJRDSCEYGECG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methylpropanoic acid phenylmethyl ester
  • 2-methylpropionic acid benzyl ester
  • 103-28-6
  • ST5407931
  • NSC406201
  • AI3-02944
  • W214108_ALDRICH
  • Benzyl 2-methylpropionate
  • Benzyl isobutanoate
  • Benzyl isobutyrate
  • Isobutyric acid, benzyl ester
  • NSC46112
  • Propanoic acid, 2-methyl-, phenylmethyl ester
  • WLN: 1Y1 & VO1R
  • 4-06-00-02266 (Beilstein Handbook Reference)
  • ZINC01677783
  • BRN 1869299
  • Benzyl 2-methyl propionate
  • Benzyl 2-methylpropanoate
  • Benzyl isobutyrate (natural)
  • Benzylester kyseliny isomaselne [Czech]
  • EINECS 203-095-9
  • FEMA No. 2141
  • NSC 406201

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
Schistosoma mansoni cercarial elastase (S01 family) 0.0071 0.0431 0.0431
Leishmania major cathepsin L-like protease 0.0084 0.0676 0.5
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0071 0.0431 0.3464
Echinococcus granulosus cathepsin l cysteine peptidase 0.0084 0.0676 0.5429
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0676 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0114 0.1245 0.1245
Schistosoma mansoni hypothetical protein 0.0071 0.0431 0.0431
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0676 0.0879
Echinococcus granulosus Mastin 0.0071 0.0431 0.3464
Echinococcus multilocularis Mastin 0.0071 0.0431 0.3464
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0676 0.0879
Brugia malayi ADAMTS-like protease 0.0052 0.0065 0.0281
Brugia malayi Trypsin family protein 0.0071 0.0431 0.1868
Onchocerca volvulus 0.0084 0.0676 1
Leishmania major cathepsin L-like protease 0.0084 0.0676 0.5
Onchocerca volvulus 0.0084 0.0676 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0114 0.1245 0.1245
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0229 0.3431 0.2955
Echinococcus multilocularis cysteine protease 0.0084 0.0676 0.5429
Trypanosoma cruzi cruzipain precursor, putative 0.0084 0.0676 0.4734
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0071 0.0431 0.0431
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0676 0.0879
Schistosoma mansoni cercarial elastase (S01 family) 0.0071 0.0431 0.0431
Leishmania major cathepsin L-like protease 0.0084 0.0676 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.0164 0.0712
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0676 0.0879
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0071 0.0424 0.3407
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0676 0.0879
Schistosoma mansoni cercarial elastase (S01 family) 0.0071 0.0431 0.0431
Echinococcus granulosus cathepsin b 0.0114 0.1245 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0164 0.0712
Schistosoma mansoni cercarial elastase (S01 family) 0.0071 0.0431 0.0431
Trypanosoma cruzi cysteine peptidase, putative 0.0084 0.0676 0.4734
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0084 0.0676 0.0879
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0676 0.0879
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0676 0.0879
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0676 0.0879
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0676 0.0879
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0676 0.0879
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0071 0.0431 0.0431
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0676 0.0879
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0114 0.1245 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0071 0.0431 0.0431
Schistosoma mansoni cathepsin F (C01 family) 0.0057 0.0164 0.0164
Loa Loa (eye worm) trypsin family protein 0.0071 0.0431 0.1868
Echinococcus granulosus cathepsin l1 0.0057 0.0164 0.1321
Brugia malayi Cathepsin L-like precursor 0.0084 0.0676 0.2928
Schistosoma mansoni cercarial elastase (S01 family) 0.0071 0.0431 0.0431
Schistosoma mansoni cathepsin F (C01 family) 0.0084 0.0676 0.0676
Echinococcus granulosus glycoprotein Antigen 5 0.0071 0.0431 0.3464
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0676 0.0879
Leishmania major cathepsin L-like protease 0.0084 0.0676 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0094 0.0407
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0071 0.0431 0.0431
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0363 0.5983 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0676 0.0879
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0676 0.0879
Schistosoma mansoni cathepsin F (C01 family) 0.0084 0.0676 0.0676
Brugia malayi Cathepsin L-like precursor 0.0057 0.0164 0.0712
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0071 0.0424 0.0424
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0114 0.1245 0.1245
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0676 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0676 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0676 0.0879
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0676 0.5
Echinococcus granulosus cathepsin b 0.0114 0.1245 1
Onchocerca volvulus 0.0071 0.0431 0.5796
Onchocerca volvulus 0.0084 0.0676 1
Echinococcus granulosus transmembrane protease serine 3 0.0071 0.0431 0.3464
Echinococcus granulosus enteropeptidase 0.0071 0.0431 0.3464
Loa Loa (eye worm) hypothetical protein 0.0071 0.0431 0.1868
Schistosoma mansoni cercarial elastase (S01 family) 0.0071 0.0431 0.0431
Onchocerca volvulus Cathepsin L homolog 0.0084 0.0676 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0114 0.1245 0.1245
Loa Loa (eye worm) hypothetical protein 0.0071 0.0431 0.1868
Leishmania major cathepsin L-like protease 0.0084 0.0676 0.5
Brugia malayi Trypsin family protein 0.0071 0.0431 0.1868
Entamoeba histolytica cysteine proteinase, putative 0.0084 0.0676 1
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0573 1 1
Toxoplasma gondii cathepsin CPC1 0.0573 1 1
Onchocerca volvulus 0.0084 0.0676 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0071 0.0431 0.0431
Onchocerca volvulus 0.0071 0.0431 0.5796
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0071 0.0431 0.3464
Toxoplasma gondii cathepsin CPC2 0.0229 0.3431 0.2955
Onchocerca volvulus 0.0071 0.0431 0.5796
Loa Loa (eye worm) cysteine protease 0.0084 0.0676 0.2928
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0573 1 1
Brugia malayi Trypsin-like protease protein 5 0.0071 0.0431 0.1868
Echinococcus multilocularis cathepsin L cysteine protease 0.0084 0.0676 0.5429
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0676 0.0879
Schistosoma mansoni hypothetical protein 0.0071 0.0431 0.0431
Schistosoma mansoni cercarial elastase (S01 family) 0.0071 0.0431 0.0431
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0071 0.0431 0.3464
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0676 0.0879
Schistosoma mansoni cercarial elastase (S01 family) 0.0071 0.0431 0.0431
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0071 0.0424 0.3407
Brugia malayi Cathepsin L-like precursor 0.0084 0.0676 0.2928
Brugia malayi Cathepsin L-like precursor 0.0084 0.0676 0.2928
Loa Loa (eye worm) hypothetical protein 0.0084 0.0676 0.2928
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0676 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0084 0.0676 0.0879
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0676 0.0879
Onchocerca volvulus Cathepsin L homolog 0.0084 0.0676 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0071 0.0431 0.0431
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0229 0.3431 0.2955
Entamoeba histolytica cysteine protease, putative 0.0084 0.0676 1
Brugia malayi Cathepsin L-like precursor 0.0084 0.0676 0.2928
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0676 0.5
Brugia malayi Cathepsin L-like precursor 0.0084 0.0676 0.2928
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0071 0.0431 0.0431
Echinococcus multilocularis transmembrane protease serine 3 0.0071 0.0431 0.3464
Brugia malayi Trypsin family protein 0.0071 0.0431 0.1868
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0573 1 1
Echinococcus granulosus cathepsin l1 0.0084 0.0676 0.5429
Brugia malayi ADAM-TS Spacer 1 family protein 0.017 0.2309 1
Onchocerca volvulus Cathepsin F homolog 0.0084 0.0676 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0071 0.0431 0.0431
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0676 0.0879
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0084 0.0676 0.5429
Brugia malayi Cathepsin L-like precursor 0.0057 0.0164 0.0712
Echinococcus multilocularis enteropeptidase 0.0071 0.0431 0.3464
Toxoplasma gondii preprocathepsin c precursor, putative 0.0573 1 1
Leishmania major cathepsin L-like protease 0.0084 0.0676 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0084 0.0676 0.4734
Loa Loa (eye worm) hypothetical protein 0.0071 0.0431 0.1868
Brugia malayi hypothetical protein 0.0071 0.0431 0.1868
Trypanosoma cruzi cysteine peptidase, putative 0.0084 0.0676 0.4734
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0084 0.0676 0.0879
Loa Loa (eye worm) fibroinase 0.0084 0.0676 0.2928
Onchocerca volvulus 0.0057 0.0164 0.1211
Brugia malayi Papain family cysteine protease containing protein 0.0084 0.0676 0.2928
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0071 0.0431 0.1868
Brugia malayi Trypsin family protein 0.0071 0.0431 0.1868
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0676 0.5
Onchocerca volvulus 0.0071 0.0431 0.5796
Loa Loa (eye worm) hypothetical protein 0.0071 0.0431 0.1868
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0676 0.5
Mycobacterium ulcerans hypothetical protein 0.0071 0.0431 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.0431 0.1868
Schistosoma mansoni cercarial elastase (S01 family) 0.0071 0.0431 0.0431
Brugia malayi cathepsin B-like cysteine proteinase 0.0114 0.1245 0.5392
Loa Loa (eye worm) ctsf protein 0.0084 0.0676 0.2928
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0676 0.5
Echinococcus multilocularis cathepsin b 0.0114 0.1245 1
Brugia malayi angiogenesis inhibito 0.0052 0.0065 0.0281
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0676 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0071 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0071 0.0431 0.1868
Onchocerca volvulus 0.0084 0.0676 1
Onchocerca volvulus 0.0084 0.0676 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0084 0.0676 0.5429
Loa Loa (eye worm) hypothetical protein 0.0071 0.0431 0.1868
Loa Loa (eye worm) hypothetical protein 0.0114 0.1245 0.5392
Brugia malayi Cathepsin L-like cysteine proteinase 0.0057 0.0164 0.0712
Schistosoma mansoni cercarial elastase (S01 family) 0.0071 0.0431 0.0431
Leishmania major cysteine peptidase A (CPA) 0.0084 0.0676 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.0164 0.0712
Brugia malayi cathepsin L-like precursor 0.0057 0.0164 0.0712
Leishmania major cathepsin L-like protease 0.0084 0.0676 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0676 0.0879
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0573 1 1
Leishmania major cathepsin L-like protease 0.0084 0.0676 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0084 0.0676 0.4734
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0071 0.0431 0.3464
Onchocerca volvulus 0.0071 0.0431 0.5796
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0084 0.0676 0.5429
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0084 0.0676 0.5
Echinococcus granulosus cathepsin L cysteine proteinase 0.0084 0.0676 0.5429
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0676 0.0879
Onchocerca volvulus 0.0071 0.0431 0.5796
Echinococcus multilocularis cathepsin b 0.0114 0.1245 1
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0573 1 1
Brugia malayi Cathepsin L-like precursor 0.0084 0.0676 0.2928
Echinococcus multilocularis cysteine protease 0.0084 0.0676 0.5429
Echinococcus multilocularis glycoprotein Antigen 5 0.0071 0.0431 0.3464
Onchocerca volvulus 0.0084 0.0676 1
Loa Loa (eye worm) hypothetical protein 0.017 0.2309 1
Entamoeba histolytica cysteine proteinase, putative 0.0084 0.0676 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0084 0.0676 0.2928
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0084 0.0676 0.2928
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0084 0.0676 0.0879

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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