Detailed information for compound 1146997

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 273.287 | Formula: C14H15N3O3
  • H donors: 2 H acceptors: 2 LogP: 0.61 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@H](Cc1c[nH]cn1)N)Cc1ccc2c(c1)OCO2
  • InChi: 1S/C14H15N3O3/c15-11(5-10-6-16-7-17-10)12(18)3-9-1-2-13-14(4-9)20-8-19-13/h1-2,4,6-7,11H,3,5,8,15H2,(H,16,17)/t11-/m0/s1
  • InChiKey: RAPQMYXCTMCIAF-NSHDSACASA-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
Leishmania major cytochrome p450-like protein 0.0045 0.4592 0.4688
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0061 0.8626 0.8807
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0028 0 0.5
Trypanosoma brucei cytochrome P450, putative 0.0045 0.4592 0.4688
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0028 0 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.6121 0.6249
Leishmania major protein kinase, putative 0.0061 0.8626 0.8807
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0061 0.8626 0.8626
Echinococcus multilocularis dual specificity protein kinase clk2 0.0061 0.8626 0.8807
Trypanosoma brucei protein kinase, putative 0.0051 0.6121 0.6249
Giardia lamblia Kinase, CMGC CLK 0.0061 0.8626 1
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0061 0.8626 0.8807
Echinococcus granulosus transcription factor Dp 1 0.0038 0.2545 0.2598
Mycobacterium leprae Conserved hypothetical protein 0.0028 0 0.5
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.9794 0.9794
Trichomonas vaginalis CMGC family protein kinase 0.0061 0.8626 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.9794 1
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.6121 0.6249
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0061 0.8626 0.8807
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.4592 0.4592
Echinococcus granulosus dual specificity protein kinase clk2 0.0061 0.8626 0.8807
Brugia malayi Protein kinase domain containing protein 0.0061 0.8626 0.8626
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0028 0 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.9794 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0066 1 1
Brugia malayi Cytochrome P450 family protein 0.0045 0.4592 0.4592
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.9794 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.6121 0.6249
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.6121 0.7096
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0061 0.8626 0.8807
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.9794 0.9794
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0028 0 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.6121 0.6249
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.6121 0.6249
Brugia malayi Cytochrome P450 family protein 0.0045 0.4592 0.4592
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0061 0.8626 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.9794 1
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.6121 0.6249
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0028 0 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.6121 0.6121
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0028 0 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0028 0 0.5
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0061 0.8626 0.8807
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0045 0.4592 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0061 0.8626 0.8807
Plasmodium falciparum protein serine/threonine kinase-1 0.0061 0.8626 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0028 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0045 0.4592 0.4592
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.6121 0.6249
Loa Loa (eye worm) CYP4Cod1 0.0045 0.4592 0.4592
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0028 0 0.5
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.2545 0.2598
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.6121 0.6249
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.8626 0.8807
Echinococcus multilocularis 0.006 0.8383 0.8559
Mycobacterium leprae putative cytochrome p450 0.0028 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0028 0 0.5
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.9794 0.5
Plasmodium vivax serine/threonine kinase-1, putative 0.0061 0.8626 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0028 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0045 0.4592 0.4688
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.9794 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0028 0 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.6121 0.6249
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0028 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0028 0 0.5
Leishmania major protein kinase, putative 0.0061 0.8626 0.8807
Echinococcus granulosus hypothetical protein 0.006 0.8383 0.8559
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0028 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0028 0 0.5
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.9794 1
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.6121 0.6249
Loa Loa (eye worm) hypothetical protein 0.006 0.8383 0.8383
Trypanosoma cruzi cytochrome P450, putative 0.0045 0.4592 0.4688
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0028 0 0.5
Brugia malayi MAP kinase sur-1 0.0051 0.6121 0.6121
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0028 0 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.6121 0.6249
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.9794 1
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.8626 0.8807
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.6121 0.6249
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0028 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0028 0 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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