Detailed information for compound 560522

Basic information

Technical information
  • TDR Targets ID: 560522
  • Name: isopropyl furan-2-carboxylate
  • MW: 154.163 | Formula: C8H10O3
  • H donors: 0 H acceptors: 1 LogP: 1.97 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OC(=O)c1ccco1)C
  • InChi: 1S/C8H10O3/c1-6(2)11-8(9)7-4-3-5-10-7/h3-6H,1-2H3
  • InChiKey: IIISLCMALFIFKE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-furancarboxylic acid isopropyl ester
  • propan-2-yl furan-2-carboxylate
  • furan-2-carboxylic acid isopropyl ester
  • 6270-34-4
  • 2-Furoic acid, isopropyl ester
  • Isopropyl furoate
  • NSC35576
  • AI3-23589
  • EINECS 228-451-0
  • Isopropyl 2-furoate
  • NSC 35576
  • 2-Furancarboxylic acid, 1-methylethyl ester

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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.013 0.0527
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0407 0.209 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0141 0.0572
Brugia malayi 6-phosphofructokinase 0.0111 0.0481 0.2254
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.013 0.0527
Schistosoma mansoni 6-phosphofructokinase 0.0111 0.0481 0.2303
Echinococcus multilocularis 6 phosphofructokinase 0.0111 0.0481 0.1959
Echinococcus granulosus neuropeptide receptor A26 0.0474 0.2457 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.013 0.0527
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0141 0.0572
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0177 0.0722
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0177 0.0722
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0182 0.0865 0.4029
Trichomonas vaginalis phosphofructokinase, putative 0.0111 0.0481 0.216
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0182 0.0865 0.4029
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.013 0.0206
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0141 0.0672
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.1858 1 1
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0141 0.0672
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0111 0.0481 0.216
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0193 0.0924 0.3761
Loa Loa (eye worm) hypothetical protein 0.0049 0.0141 0.026
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0407 0.209 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0111 0.0481 0.1963
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0182 0.0865 0.352
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0407 0.209 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.013 0.056
Plasmodium falciparum phenylalanine--tRNA ligase 0.0182 0.0865 0.4029
Loa Loa (eye worm) hypothetical protein 0.0407 0.209 1
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.1858 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0208 0.0845
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0407 0.209 1
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0407 0.209 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0112 0.0119
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0407 0.209 1
Brugia malayi Bromodomain containing protein 0.0039 0.0088 0.036
Schistosoma mansoni hypothetical protein 0.0297 0.1494 0.7148
Brugia malayi Bromodomain containing protein 0.0077 0.0293 0.1347
Brugia malayi 6-phosphofructokinase 0.0111 0.0481 0.2254
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0177 0.0722
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0141 0.0572
Echinococcus granulosus neuropeptide s receptor 0.0474 0.2457 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0141 0.0672
Schistosoma mansoni 6-phosphofructokinase 0.0111 0.0481 0.2303
Echinococcus multilocularis neuropeptide s receptor 0.0474 0.2457 1
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0141 0.0572
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0407 0.209 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0141 0.5
Entamoeba histolytica phosphofructokinase, putative 0.0111 0.0481 0.216
Onchocerca volvulus 0.0049 0.0141 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.013 0.062
Brugia malayi mbt repeat family protein 0.0049 0.0141 0.0613
Plasmodium falciparum phenylalanine--tRNA ligase 0.0151 0.0696 0.3208
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0208 0.0845
Entamoeba histolytica phosphofructokinase, putative 0.0111 0.0481 0.216
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.013 0.0527
Brugia malayi phosphofructokinase 0.0111 0.0481 0.2254
Loa Loa (eye worm) phosphofructokinase 0.0111 0.0481 0.1963
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0407 0.209 1
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0407 0.209 0.8505
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.013 0.062
Echinococcus multilocularis neuropeptide receptor A26 0.0474 0.2457 1
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0141 0.026
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0075 0.0304
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0182 0.0865 0.4138
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0407 0.209 1
Brugia malayi mbt repeat family protein 0.0049 0.0141 0.0613
Trichomonas vaginalis phosphofructokinase, putative 0.0111 0.0481 0.216
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0133 0.0599 0.2732
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0177 0.0849
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0133 0.0599 0.2865
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0182 0.0865 0.4101
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0075 0.0304
Loa Loa (eye worm) hypothetical protein 0.0042 0.0102 0.0066
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0182 0.0865 0.3879
Trichomonas vaginalis phosphofructokinase, putative 0.0111 0.0481 0.216
Loa Loa (eye worm) hypothetical protein 0.0072 0.0269 0.0903
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0177 0.0791
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0407 0.209 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0177 0.0722
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0407 0.209 0.8505
Entamoeba histolytica phosphofructokinase, putative 0.0111 0.0481 0.216
Loa Loa (eye worm) MBCTL1 0.0056 0.0177 0.0445
Loa Loa (eye worm) 6-phosphofructokinase 0.0111 0.0481 0.1963
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0182 0.0865 0.352
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.013 0.062
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0274 0.1365 1
Schistosoma mansoni bromodomain containing protein 0.0065 0.0228 0.1089
Trichomonas vaginalis phosphofructokinase, putative 0.0111 0.0481 0.216
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0133 0.0599 0.2732
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0133 0.0599 0.2732
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0407 0.209 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0177 0.0445
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.1858 1 0.5
Echinococcus granulosus 6 phosphofructokinase 0.0111 0.0481 0.1959
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0193 0.0924 0.3761
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0407 0.209 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.

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