Detailed information for compound 1801077

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 232.275 | Formula: C14H16O3
  • H donors: 0 H acceptors: 1 LogP: 2.39 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cc1ccc(cc1)OC(C#C)(C)C
  • InChi: 1S/C14H16O3/c1-5-14(2,3)17-12-8-6-11(7-9-12)10-13(15)16-4/h1,6-9H,10H2,2-4H3
  • InChiKey: MCMFRUJSEDTFGY-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
Echinococcus granulosus cytochrome P450 2K1 0.0016 0.0014 0.0014
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0016 0.0014 0.0029
Trypanosoma cruzi lipase, putative 0.0031 0.011 0.011
Toxoplasma gondii cytochrome p450 superfamily protein 0.0016 0.0014 0.1317
Giardia lamblia hypothetical protein 0.0031 0.011 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0016 0.0014 0.0014
Toxoplasma gondii lipase 0.0031 0.011 1
Entamoeba histolytica lipase, putative 0.0031 0.011 1
Trypanosoma cruzi lipase, putative 0.0031 0.011 0.011
Brugia malayi Cytochrome P450 family protein 0.0058 0.0273 0.0273
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0016 0.0014 0.0029
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.011 0.011
Onchocerca volvulus 0.0031 0.011 0.011
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.0833 0.5005 1
Trypanosoma cruzi Triglyceride lipase, putative 0.0031 0.011 0.011
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.011 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.011 0.011
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0016 0.0014 0.0029
Leishmania major class 3 lipase, putative 0.0031 0.011 0.011
Mycobacterium tuberculosis 4,9-DHSA hydrolase 0.082 0.4923 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0016 0.0014 0.0029
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.011 0.011
Plasmodium falciparum lipase, putative 0.0031 0.011 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0016 0.0014 0.0029
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0074 0.0074
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.1652 1 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0016 0.0014 0.0029
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0016 0.0014 0.0029
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0016 0.0014 0.0029
Brugia malayi Cytochrome P450 family protein 0.0016 0.0014 0.0014
Brugia malayi cytochrome P450 0.0016 0.0014 0.0014
Entamoeba histolytica hypothetical protein 0.0031 0.011 1
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0074 0.0074
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0016 0.0014 0.0029
Giardia lamblia Hypothetical protein 0.0031 0.011 1
Leishmania major lipase, putative 0.0031 0.011 0.011
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0016 0.0014 0.0029
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0016 0.0014 0.0014
Toxoplasma gondii lipase 0.0031 0.011 1
Trypanosoma brucei lipase-like protein, putative 0.0031 0.011 0.011
Trypanosoma cruzi lipase, putative 0.0031 0.011 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.011 0.011
Leishmania major cytochrome p450-like protein 0.0016 0.0014 0.0014
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0074 0.0074
Trypanosoma brucei lipase domain protein, putative 0.0031 0.011 0.011
Mycobacterium leprae Conserved hypothetical protein 0.0016 0.0014 1
Trypanosoma cruzi Lipase (class 3), putative 0.0031 0.011 0.011
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0016 0.0014 0.0029
Trypanosoma cruzi lipase domain protein, putative 0.0031 0.011 0.011
Entamoeba histolytica lipase, putative 0.0031 0.011 1
Trypanosoma brucei lipase domain protein, putative 0.1652 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0074 0.0074
Schistosoma mansoni cytochrome P450 0.0016 0.0014 0.1317
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.011 0.011
Trypanosoma brucei triacylglycerol lipase, putative 0.0031 0.011 0.011
Mycobacterium leprae putative cytochrome p450 0.0016 0.0014 1
Brugia malayi Lipase family protein 0.0031 0.011 0.011
Leishmania major cytochrome p450-like protein 0.0025 0.0074 0.0074
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0016 0.0014 0.0029
Onchocerca volvulus 0.0031 0.011 0.011
Trypanosoma cruzi lipase domain protein, putative 0.0031 0.011 0.011
Giardia lamblia hypothetical protein 0.0031 0.011 1
Giardia lamblia Hypothetical protein 0.0031 0.011 1
Schistosoma mansoni hypothetical protein 0.0016 0.0014 0.1317
Trypanosoma cruzi lipase, putative 0.0031 0.011 0.011
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0016 0.0014 0.0029
Loa Loa (eye worm) cytochrome P450 family protein 0.0058 0.0273 0.0273
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.011 0.011
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0016 0.0014 0.0029
Brugia malayi Cytochrome P450 family protein 0.0025 0.0074 0.0074
Plasmodium vivax hypothetical protein, conserved 0.0031 0.011 1
Trypanosoma cruzi lipase, putative 0.0031 0.011 0.011
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0016 0.0014 0.0029
Entamoeba histolytica hypothetical protein 0.0031 0.011 1
Leishmania major hypothetical protein, conserved 0.0031 0.011 0.011
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0016 0.0014 0.0029
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0016 0.0014 0.0029
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0016 0.0014 0.0014
Loa Loa (eye worm) CYP4Cod1 0.0025 0.0074 0.0074
Trypanosoma brucei hypothetical protein, conserved 0.0031 0.011 0.011
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0016 0.0014 0.0029
Brugia malayi Lipase family protein 0.0031 0.011 0.011
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0016 0.0014 0.0029
Trypanosoma brucei lipase, putative 0.0031 0.011 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.011 0.011
Trypanosoma cruzi lipase-like protein, putative 0.0031 0.011 0.011
Leishmania major hypothetical protein, unknown function 0.0031 0.011 0.011
Leishmania major lipase domain protein, putative 0.0031 0.011 0.011
Leishmania major lipase precursor-like protein 0.0031 0.011 0.011
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0016 0.0014 0.0029
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0016 0.0014 0.0029
Echinococcus multilocularis 0.0016 0.0014 0.0014
Trypanosoma brucei cytochrome P450, putative 0.0025 0.0074 0.0074
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0016 0.0014 0.0029
Brugia malayi Lipase family protein 0.0031 0.011 0.011
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0016 0.0014 0.0029
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0016 0.0014 0.0029
Trichomonas vaginalis lipase containing protein, putative 0.1652 1 1
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0016 0.0014 0.0029
Leishmania major cytochrome p450-like protein 0.0016 0.0014 0.0014
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0016 0.0014 0.0029
Leishmania major hypothetical protein, conserved 0.0031 0.011 0.011
Onchocerca volvulus 0.0031 0.011 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.011 0.011
Giardia lamblia Hypothetical protein 0.0031 0.011 1
Trypanosoma brucei Lipase (class 3), putative 0.0031 0.011 0.011
Loa Loa (eye worm) lipase 0.0031 0.011 0.011
Leishmania major lipase, putative;with=GeneDB:LinJ31_V3.0860 0.0031 0.011 0.011
Entamoeba histolytica hypothetical protein 0.0031 0.011 1
Entamoeba histolytica lipase, putative 0.0031 0.011 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0016 0.0014 0.0029
Loa Loa (eye worm) lipase 0.0031 0.011 0.011
Trichomonas vaginalis lipase containing protein, putative 0.0031 0.011 0.011
Loa Loa (eye worm) lipase 0.1652 1 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0016 0.0014 0.0029
Leishmania major hypothetical protein, conserved 0.0031 0.011 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.011 0.011
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0016 0.0014 0.0014
Entamoeba histolytica hypothetical protein 0.0031 0.011 1
Entamoeba histolytica hypothetical protein 0.0031 0.011 1
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.011 0.011
Entamoeba histolytica hypothetical protein 0.0031 0.011 1
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0016 0.0014 0.0029
Trypanosoma cruzi lipase, putative 0.0031 0.011 0.011
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0016 0.0014 0.0029
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0031 0.011 0.011
Trypanosoma brucei Triglyceride lipase, putative 0.0031 0.011 0.011
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0016 0.0014 0.0029
Onchocerca volvulus 0.1652 1 1
Toxoplasma gondii lipase 0.0031 0.011 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0016 0.0014 0.0014
Entamoeba histolytica hypothetical protein 0.0031 0.011 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0016 0.0014 0.0029
Loa Loa (eye worm) cytochrome P450 0.0016 0.0014 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.011 0.011
Toxoplasma gondii lipase 0.0031 0.011 1
Trypanosoma cruzi lipase, putative 0.0031 0.011 0.011
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0016 0.0014 0.0029
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0016 0.0014 0.0029
Trypanosoma cruzi hypothetical protein, conserved 0.1652 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.1652 1 1
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.1652 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.011 0.011
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0016 0.0014 0.0029
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0016 0.0014 0.0029
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0016 0.0014 0.0029
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0016 0.0014 0.0029
Leishmania major hypothetical protein, conserved 0.1652 1 1
Brugia malayi Cytochrome P450 family protein 0.0025 0.0074 0.0074
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0016 0.0014 0.0029
Entamoeba histolytica lipase, putative 0.0031 0.011 1
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0031 0.011 0.011
Trypanosoma brucei Triglyceride lipase, putative 0.0031 0.011 0.011
Trypanosoma brucei lipase domain protein, putative 0.1652 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.011 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.011 0.011
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0025 0.0074 0.0148
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.011 0.011
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0016 0.0014 0.0029
Leishmania major hypothetical protein, unknown function 0.0031 0.011 0.011
Schistosoma mansoni lipase 0.0031 0.011 1
Trypanosoma cruzi lipase, putative 0.0031 0.011 0.011
Entamoeba histolytica hypothetical protein 0.0031 0.011 1
Brugia malayi Lipase family protein 0.0031 0.011 0.011
Trichomonas vaginalis lipase containing protein, putative 0.1652 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.011 0.011

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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