Detailed information for compound 1801078

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 267.794 | Formula: C15H22ClNO
  • H donors: 1 H acceptors: 0 LogP: 3.81 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NCc1ccc2c(c1)OC(C=C2)(C)C)C.Cl
  • InChi: 1S/C15H21NO.ClH/c1-11(2)16-10-12-5-6-13-7-8-15(3,4)17-14(13)9-12;/h5-9,11,16H,10H2,1-4H3;1H
  • InChiKey: AMRBEYLOCVADKT-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
Trypanosoma cruzi lipase, putative 0.0034 0.0114 0.0114
Toxoplasma gondii lipase 0.0034 0.0114 1
Loa Loa (eye worm) cytochrome P450 0.0015 0.0007 0.0007
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0015 0.0007 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0114 0.0114
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0015 0.0007 0.0015
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0015 0.0007 0.0015
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0015 0.0007 0.0015
Trypanosoma brucei Triglyceride lipase, putative 0.0034 0.0114 0.0114
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0034 0.0114 0.0114
Entamoeba histolytica hypothetical protein 0.0034 0.0114 1
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0015 0.0007 0.0015
Trypanosoma cruzi lipase, putative 0.0034 0.0114 0.0114
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0015 0.0007 0.0007
Entamoeba histolytica hypothetical protein 0.0034 0.0114 1
Onchocerca volvulus 0.1772 1 1
Toxoplasma gondii lipase 0.0034 0.0114 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0015 0.0007 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0114 0.0114
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0024 0.0059 0.0124
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0114 0.0114
Trypanosoma brucei lipase domain protein, putative 0.1772 1 1
Trypanosoma brucei Triglyceride lipase, putative 0.0034 0.0114 0.0114
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0034 0.0114 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0114 0.0114
Trypanosoma cruzi lipase, putative 0.0034 0.0114 0.0114
Brugia malayi Lipase family protein 0.0034 0.0114 0.0114
Entamoeba histolytica hypothetical protein 0.0034 0.0114 1
Trichomonas vaginalis lipase containing protein, putative 0.1772 1 1
Leishmania major hypothetical protein, unknown function 0.0034 0.0114 0.0114
Schistosoma mansoni lipase 0.0034 0.0114 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0015 0.0007 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0114 0.0114
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0015 0.0007 0.0015
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0015 0.0007 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0114 0.0114
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.1772 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.1772 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.1772 1 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0015 0.0007 0.0015
Entamoeba histolytica lipase, putative 0.0034 0.0114 1
Leishmania major hypothetical protein, conserved 0.1772 1 1
Brugia malayi Cytochrome P450 family protein 0.0024 0.0059 0.0059
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0015 0.0007 0.0015
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0015 0.0007 0.0015
Echinococcus multilocularis 0.0015 0.0007 0.0007
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0015 0.0007 0.0015
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0015 0.0007 0.0015
Leishmania major lipase domain protein, putative 0.0034 0.0114 0.0114
Leishmania major lipase precursor-like protein 0.0034 0.0114 0.0114
Brugia malayi Lipase family protein 0.0034 0.0114 0.0114
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0015 0.0007 0.0015
Trypanosoma brucei cytochrome P450, putative 0.0024 0.0059 0.0059
Trypanosoma brucei lipase, putative 0.0034 0.0114 0.0114
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0015 0.0007 0.0015
Brugia malayi Lipase family protein 0.0034 0.0114 0.0114
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0015 0.0007 0.0015
Leishmania major hypothetical protein, unknown function 0.0034 0.0114 0.0114
Trypanosoma cruzi lipase-like protein, putative 0.0034 0.0114 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0114 0.0114
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0015 0.0007 0.0015
Entamoeba histolytica lipase, putative 0.0034 0.0114 1
Loa Loa (eye worm) lipase 0.0034 0.0114 0.0114
Leishmania major lipase, putative;with=GeneDB:LinJ31_V3.0860 0.0034 0.0114 0.0114
Loa Loa (eye worm) lipase 0.0034 0.0114 0.0114
Entamoeba histolytica hypothetical protein 0.0034 0.0114 1
Trypanosoma brucei Lipase (class 3), putative 0.0034 0.0114 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0114 0.0114
Entamoeba histolytica hypothetical protein 0.0034 0.0114 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0015 0.0007 0.0007
Entamoeba histolytica hypothetical protein 0.0034 0.0114 1
Leishmania major hypothetical protein, conserved 0.0034 0.0114 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0114 0.0114
Loa Loa (eye worm) lipase 0.1772 1 1
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0015 0.0007 0.0015
Trichomonas vaginalis lipase containing protein, putative 0.0034 0.0114 0.0114
Leishmania major cytochrome p450-like protein 0.0015 0.0007 0.0007
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0015 0.0007 0.0015
Trichomonas vaginalis lipase containing protein, putative 0.1772 1 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0015 0.0007 0.0015
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0015 0.0007 0.0015
Giardia lamblia Hypothetical protein 0.0034 0.0114 1
Onchocerca volvulus 0.0034 0.0114 0.0114
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0114 0.0114
Leishmania major hypothetical protein, conserved 0.0034 0.0114 0.0114
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0015 0.0007 0.0015
Schistosoma mansoni cytochrome P450 0.0015 0.0007 0.0606
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0114 0.0114
Trypanosoma brucei lipase domain protein, putative 0.1772 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0059 0.0059
Trypanosoma cruzi lipase domain protein, putative 0.0034 0.0114 0.0114
Entamoeba histolytica lipase, putative 0.0034 0.0114 1
Onchocerca volvulus 0.0034 0.0114 0.0114
Giardia lamblia hypothetical protein 0.0034 0.0114 1
Trypanosoma cruzi lipase domain protein, putative 0.0034 0.0114 0.0114
Leishmania major cytochrome p450-like protein 0.0024 0.0059 0.0059
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0015 0.0007 0.0015
Trypanosoma brucei triacylglycerol lipase, putative 0.0034 0.0114 0.0114
Mycobacterium leprae putative cytochrome p450 0.0015 0.0007 1
Brugia malayi Lipase family protein 0.0034 0.0114 0.0114
Leishmania major cytochrome p450-like protein 0.0015 0.0007 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0114 0.0114
Trypanosoma cruzi lipase, putative 0.0034 0.0114 0.0114
Mycobacterium leprae Conserved hypothetical protein 0.0015 0.0007 1
Trypanosoma cruzi Lipase (class 3), putative 0.0034 0.0114 0.0114
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0015 0.0007 0.0015
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0059 0.0059
Trypanosoma brucei lipase domain protein, putative 0.0034 0.0114 0.0114
Entamoeba histolytica hypothetical protein 0.0034 0.0114 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0015 0.0007 0.0015
Trypanosoma cruzi lipase, putative 0.0034 0.0114 0.0114
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0015 0.0007 0.0007
Loa Loa (eye worm) CYP4Cod1 0.0024 0.0059 0.0059
Trypanosoma brucei hypothetical protein, conserved 0.0034 0.0114 0.0114
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0015 0.0007 0.0015
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0015 0.0007 0.0015
Leishmania major hypothetical protein, conserved 0.0034 0.0114 0.0114
Trypanosoma cruzi lipase, putative 0.0034 0.0114 0.0114
Schistosoma mansoni hypothetical protein 0.0015 0.0007 0.0606
Giardia lamblia Hypothetical protein 0.0034 0.0114 1
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0114 1
Brugia malayi Cytochrome P450 family protein 0.0024 0.0059 0.0059
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0015 0.0007 0.0015
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0234 0.0234
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0114 0.0114
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0015 0.0007 0.0015
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0015 0.0007 0.0015
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0114 0.0114
Entamoeba histolytica lipase, putative 0.0034 0.0114 1
Trypanosoma cruzi lipase, putative 0.0034 0.0114 0.0114
Brugia malayi Cytochrome P450 family protein 0.0055 0.0234 0.0234
Toxoplasma gondii lipase 0.0034 0.0114 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0015 0.0007 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0114 0.0114
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.0849 0.4753 1
Trypanosoma cruzi Triglyceride lipase, putative 0.0034 0.0114 0.0114
Trypanosoma cruzi hypothetical protein, conserved 0.0034 0.0114 0.0114
Onchocerca volvulus 0.0034 0.0114 0.0114
Echinococcus granulosus cytochrome P450 2K1 0.0015 0.0007 0.0007
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0015 0.0007 0.0015
Giardia lamblia hypothetical protein 0.0034 0.0114 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0015 0.0007 0.0606
Trypanosoma cruzi lipase, putative 0.0034 0.0114 0.0114
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0015 0.0007 0.0015
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0015 0.0007 0.0015
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0059 0.0059
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.1772 1 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0015 0.0007 0.0015
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0015 0.0007 0.0015
Toxoplasma gondii lipase 0.0034 0.0114 1
Trypanosoma brucei lipase-like protein, putative 0.0034 0.0114 0.0114
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0015 0.0007 0.0015
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0015 0.0007 0.0007
Giardia lamblia Hypothetical protein 0.0034 0.0114 1
Leishmania major lipase, putative 0.0034 0.0114 0.0114
Entamoeba histolytica hypothetical protein 0.0034 0.0114 1
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0059 0.0059
Brugia malayi cytochrome P450 0.0015 0.0007 0.0007
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0015 0.0007 0.0015
Brugia malayi Cytochrome P450 family protein 0.0015 0.0007 0.0007
Leishmania major class 3 lipase, putative 0.0034 0.0114 0.0114
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0015 0.0007 0.0015
Plasmodium falciparum lipase, putative 0.0034 0.0114 1
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0114 0.0114
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0015 0.0007 0.0015
Mycobacterium tuberculosis 4,9-DHSA hydrolase 0.0836 0.4675 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.

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