Detailed information for compound 1801076

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 218.248 | Formula: C13H14O3
  • H donors: 0 H acceptors: 1 LogP: 2.45 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cccc(c1)OC(C#C)(C)C
  • InChi: 1S/C13H14O3/c1-5-13(2,3)16-11-8-6-7-10(9-11)12(14)15-4/h1,6-9H,2-4H3
  • InChiKey: XSNFALRVIDBZBD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 leprae putative cytochrome p450 0.0014 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0014 0 0.5
Trypanosoma cruzi lipase domain protein, putative 0.0031 0.0106 0.0106
Brugia malayi Cytochrome P450 family protein 0.0022 0.0053 0.0053
Trypanosoma cruzi lipase, putative 0.0031 0.0106 0.0106
Trypanosoma brucei cytochrome P450, putative 0.0022 0.0053 0.0053
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0053 0.0053
Giardia lamblia hypothetical protein 0.0031 0.0106 0.5
Plasmodium falciparum lipase, putative 0.0031 0.0106 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0022 0.0053 1
Entamoeba histolytica lipase, putative 0.0031 0.0106 0.5
Trypanosoma cruzi lipase, putative 0.0031 0.0106 0.0106
Giardia lamblia hypothetical protein 0.0031 0.0106 0.5
Leishmania major lipase precursor-like protein 0.0031 0.0106 0.0106
Trypanosoma brucei triacylglycerol lipase, putative 0.0031 0.0106 0.0106
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0053 0.0053
Trypanosoma cruzi lipase, putative 0.0031 0.0106 0.0106
Leishmania major hypothetical protein, conserved 0.0031 0.0106 0.0106
Trypanosoma cruzi Triglyceride lipase, putative 0.0031 0.0106 0.0106
Leishmania major hypothetical protein, conserved 0.0031 0.0106 0.0106
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0014 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0106 0.0106
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0014 0 0.5
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0031 0.0106 0.0106
Leishmania major hypothetical protein, conserved 0.0031 0.0106 0.0106
Trichomonas vaginalis lipase containing protein, putative 0.1605 1 1
Brugia malayi Lipase family protein 0.0031 0.0106 0.0106
Trypanosoma brucei lipase domain protein, putative 0.1605 1 1
Trypanosoma brucei lipase domain protein, putative 0.0031 0.0106 0.0106
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0014 0 0.5
Brugia malayi Lipase family protein 0.0031 0.0106 0.0106
Schistosoma mansoni lipase 0.0031 0.0106 1
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.1605 1 1
Trypanosoma brucei Triglyceride lipase, putative 0.0031 0.0106 0.0106
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0014 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0014 0 0.5
Trypanosoma cruzi Lipase (class 3), putative 0.0031 0.0106 0.0106
Leishmania major hypothetical protein, conserved 0.1605 1 1
Giardia lamblia Hypothetical protein 0.0031 0.0106 0.5
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0014 0 0.5
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0014 0 0.5
Loa Loa (eye worm) lipase 0.0031 0.0106 0.0106
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0106 0.5
Leishmania major lipase, putative 0.0031 0.0106 0.0106
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0014 0 0.5
Giardia lamblia Hypothetical protein 0.0031 0.0106 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0022 0.0053 0.0053
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.0232 0.0232
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0014 0 0.5
Leishmania major lipase, putative;with=GeneDB:LinJ31_V3.0860 0.0031 0.0106 0.0106
Loa Loa (eye worm) lipase 0.0031 0.0106 0.0106
Leishmania major lipase domain protein, putative 0.0031 0.0106 0.0106
Trypanosoma cruzi lipase, putative 0.0031 0.0106 0.0106
Entamoeba histolytica hypothetical protein 0.0031 0.0106 0.5
Brugia malayi Cytochrome P450 family protein 0.0051 0.0232 0.0232
Trypanosoma brucei lipase, putative 0.0031 0.0106 0.0106
Mycobacterium leprae Conserved hypothetical protein 0.0014 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0014 0 0.5
Brugia malayi Lipase family protein 0.0031 0.0106 0.0106
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0106 0.0106
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.0106 0.0106
Entamoeba histolytica hypothetical protein 0.0031 0.0106 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0031 0.0106 0.0106
Entamoeba histolytica hypothetical protein 0.0031 0.0106 0.5
Trypanosoma cruzi lipase, putative 0.0031 0.0106 0.0106
Onchocerca volvulus 0.1605 1 1
Toxoplasma gondii lipase 0.0031 0.0106 1
Giardia lamblia Hypothetical protein 0.0031 0.0106 0.5
Leishmania major class 3 lipase, putative 0.0031 0.0106 0.0106
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0014 0 0.5
Trypanosoma cruzi lipase-like protein, putative 0.0031 0.0106 0.0106
Entamoeba histolytica hypothetical protein 0.0031 0.0106 0.5
Toxoplasma gondii lipase 0.0031 0.0106 1
Leishmania major cytochrome p450-like protein 0.0022 0.0053 0.0053
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0014 0 0.5
Leishmania major hypothetical protein, unknown function 0.0031 0.0106 0.0106
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0014 0 0.5
Entamoeba histolytica hypothetical protein 0.0031 0.0106 0.5
Loa Loa (eye worm) lipase 0.1605 1 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0014 0 0.5
Toxoplasma gondii lipase 0.0031 0.0106 1
Loa Loa (eye worm) CYP4Cod1 0.0022 0.0053 0.0053
Toxoplasma gondii lipase 0.0031 0.0106 1
Leishmania major hypothetical protein, unknown function 0.0031 0.0106 0.0106
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0014 0 0.5
Trypanosoma cruzi lipase, putative 0.0031 0.0106 0.0106
Entamoeba histolytica lipase, putative 0.0031 0.0106 0.5
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0014 0 0.5
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.1605 1 1
Trypanosoma brucei lipase domain protein, putative 0.1605 1 1
Entamoeba histolytica hypothetical protein 0.0031 0.0106 0.5
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0014 0 0.5
Trypanosoma cruzi lipase, putative 0.0031 0.0106 0.0106
Entamoeba histolytica hypothetical protein 0.0031 0.0106 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.1605 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0014 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0053 0.0053
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0031 0.0106 0.0106
Trypanosoma cruzi lipase, putative 0.0031 0.0106 0.0106
Entamoeba histolytica lipase, putative 0.0031 0.0106 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.1605 1 1
Brugia malayi Lipase family protein 0.0031 0.0106 0.0106
Trypanosoma brucei lipase-like protein, putative 0.0031 0.0106 0.0106
Trichomonas vaginalis lipase containing protein, putative 0.1605 1 1
Trypanosoma brucei Triglyceride lipase, putative 0.0031 0.0106 0.0106
Trypanosoma cruzi lipase domain protein, putative 0.0031 0.0106 0.0106
Trypanosoma brucei Lipase (class 3), putative 0.0031 0.0106 0.0106
Entamoeba histolytica lipase, putative 0.0031 0.0106 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0014 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0022 0.0053 0.0053
Entamoeba histolytica hypothetical protein 0.0031 0.0106 0.5

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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