Detailed information for compound 282464

Basic information

Technical information
  • TDR Targets ID: 282464
  • Name: 3-methyl-5-[7-(4-propan-2-yloxyphenoxy)heptyl ]-1,2-oxazole
  • MW: 331.449 | Formula: C20H29NO3
  • H donors: 0 H acceptors: 1 LogP: 5.66 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Oc1ccc(cc1)OCCCCCCCc1onc(c1)C)C
  • InChi: 1S/C20H29NO3/c1-16(2)23-19-12-10-18(11-13-19)22-14-8-6-4-5-7-9-20-15-17(3)21-24-20/h10-13,15-16H,4-9,14H2,1-3H3
  • InChiKey: QWJWYAAXKAEXQI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[7-(4-isopropoxyphenoxy)heptyl]-3-methyl-isoxazole
  • 5-[7-(4-isopropoxyphenoxy)heptyl]-3-methylisoxazole
  • AIDS-190800
  • AIDS190800
  • Isoxazole, 3-methyl-5-[7-[4-(1-methylethoxy)phenoxy]heptyl]-

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
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0055 0.0149 0.0535
Echinococcus multilocularis voltage dependent calcium channel subunit 0.1451 1 1
Plasmodium falciparum telomerase reverse transcriptase 0.0166 0.0929 1
Loa Loa (eye worm) hypothetical protein 0.0292 0.1822 1
Brugia malayi Telomerase reverse transcriptase 0.0441 0.2872 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.066 0.4417 0.4417
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0055 0.0149 0.5
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0633 0.4227 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0166 0.0929 1
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0607 0.4041 0.5
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0055 0.0149 0.0149
Chlamydia trachomatis sulfite reductase 0.0034 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.0149 0.0815
Schistosoma mansoni hypothetical protein 0.0341 0.2166 0.5123
Trichomonas vaginalis sulfite reductase, putative 0.0055 0.0149 1
Leishmania major telomerase reverse transcriptase, putative 0.0166 0.0929 1
Giardia lamblia Telomerase catalytic subunit 0.0166 0.0929 1
Brugia malayi flavodoxin family protein 0.0055 0.0149 0.0517
Echinococcus granulosus voltage dependent calcium channel subunit 0.066 0.4417 0.4417
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0055 0.0149 0.0149
Schistosoma mansoni cytochrome P450 reductase 0.0055 0.0149 0.0351
Plasmodium vivax telomerase reverse transcriptase, putative 0.0166 0.0929 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0319 0.2012 0.476
Toxoplasma gondii RNA-directed DNA polymerase 0.0166 0.0929 0.5
Trypanosoma brucei telomerase reverse transcriptase 0.0166 0.0929 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0055 0.0149 0.0535
Brugia malayi FAD binding domain containing protein 0.0055 0.0149 0.0517
Brugia malayi Cache domain containing protein 0.0292 0.1822 0.6345
Loa Loa (eye worm) FAD binding domain-containing protein 0.0055 0.0149 0.0815
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0166 0.0929 1
Schistosoma mansoni serine-rich repeat protein 0.0341 0.2166 0.5123
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0055 0.0149 0.0149
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0055 0.0149 0.0149
Leishmania major p450 reductase, putative 0.0055 0.0149 0.0535

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.1 ug ml-1 In vitro anti-picornavirus activity against Poliovirus type-2. ChEMBL. 2989517
MIC (functional) = 0.7 ug ml-1 In vitro anti-picornavirus activity against Rhinovirus 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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