Detailed information for compound 280725

Basic information

Technical information
  • TDR Targets ID: 280725
  • Name: ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy] benzoate
  • MW: 317.38 | Formula: C18H23NO4
  • H donors: 0 H acceptors: 2 LogP: 4.02 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)OCCCCCc1onc(c1)C
  • InChi: 1S/C18H23NO4/c1-3-21-18(20)15-8-10-16(11-9-15)22-12-6-4-5-7-17-13-14(2)19-23-17/h8-11,13H,3-7,12H2,1-2H3
  • InChiKey: SHDAAWSSCFPTDP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 4-[5-(3-methylisoxazol-5-yl)pentoxy]benzoate
  • 4-[5-(3-methyl-5-isoxazolyl)pentoxy]benzoic acid ethyl ester
  • 4-[5-(3-methylisoxazol-5-yl)pentoxy]benzoic acid ethyl ester
  • AIDS-190787
  • AIDS190787
  • Benzoic acid, 4-[[5-(3-methyl-5-isoxazolyl)pentyl]oxy]-, ethyl 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
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0286 0.4333 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0894 0.2188
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0354 0.5461 0.5388
Plasmodium vivax SET domain protein, putative 0.0029 0.0018 0.5
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0128 0.1679 0.1513
Schistosoma mansoni lipoxygenase 0.0081 0.0883 0.216
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0116 0.1466 1
Echinococcus granulosus dna polymerase kappa 0.004 0.0202 0.138
Mycobacterium ulcerans glutaminase 0.0268 0.4022 0.3914
Trichomonas vaginalis glutaminase, putative 0.0268 0.4022 0.7113
Treponema pallidum penicillin-binding protein (pbp-3) 0.0622 0.9962 0.9933
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0354 0.5461 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.4333 0.7691
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.047 0.0275
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.0894 0.2188
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.1875 0.2814
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0202 0.2858
Trichomonas vaginalis conserved hypothetical protein 0.036 0.5573 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.047 0.113
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0613 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.4333 0.7691
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.0613 0.4178
Schistosoma mansoni glutaminase 0.0268 0.4022 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.4333 0.7691
Trypanosoma brucei unspecified product 0.0034 0.0094 0.0969
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0202 0.2858
Giardia lamblia Fructose-bisphosphate aldolase 0.0286 0.4333 0.5
Onchocerca volvulus 0.0232 0.3422 1
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0155 0.0949
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0202 0.2858
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.0894 0.2188
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.4333 0.7691
Echinococcus multilocularis dna polymerase kappa 0.004 0.0202 0.1273
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0202 0.2858
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.047 0.3208
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0202 0.2858
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0613 1
Treponema pallidum penicillin-binding protein (pbp-1) 0.0624 1 1
Treponema pallidum penicillin-binding protein (pbp-2) 0.036 0.5573 0.2188
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.0613 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.0613 0.1485
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0155 0.106
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0202 0.2858
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.1875 0.1714
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.0613 0.1485
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0286 0.4333 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.047 0.0275
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.0894 0.605
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0223 0.3272 0.409
Brugia malayi Pre-SET motif family protein 0.0204 0.2949 0.7321
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.4333 0.7691
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0241 0.357 0.3451
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0202 0.2858
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0128 0.1679 0.2422
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0038 0.0051
Brugia malayi polk-prov protein 0.003 0.0038 0.0051
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0223 0.3272 0.5612
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0116 0.1466 1
Loa Loa (eye worm) glutaminase 0.0268 0.4022 1
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0202 0.2858
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.0624 1 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.4333 0.7691
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.0613 0.4105
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.1875 0.0502
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.036 0.5573 0.5502
Trichomonas vaginalis set domain proteins, putative 0.0232 0.3422 0.5995
Brugia malayi glutaminase DH11.1 0.0268 0.4022 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0407 0.0971
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.0622 0.9962 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.2949 0.7321
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.4333 0.7691
Schistosoma mansoni lipoxygenase 0.0116 0.1466 0.3617
Onchocerca volvulus 0.0081 0.0894 0.2574
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.0894 0.6098
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0202 0.2858
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.4333 0.7691
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0241 0.357 0.4857
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0613 1
Trypanosoma brucei DNA polymerase IV, putative 0.0034 0.0094 0.0969
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0354 0.5461 0.9714
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0202 0.2858
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0241 0.357 0.6211
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.047 0.3124
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.047 0.113
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0202 0.2858
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.0613 0.1485
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0119 0.153 0.2122
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0018 0.0123
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.036 0.5573 1
Loa Loa (eye worm) glutaminase 2 0.0268 0.4022 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.015 ug ml-1 In vitro anti-picornavirus activity against Rhinovirus type-2. ChEMBL. 2989517
MIC (functional) = 0.6 ug ml-1 Compound tested in vitro for anti-picornavirus activity against Poliovirus type-2 ChEMBL. 2989517
MTL (functional) = 12.5 ug ml-1 Maximum testable level of compound was evaluated ChEMBL. 2989517

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

1 literature reference was collected for this gene.

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