Detailed information for compound 1160069

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 195.195 | Formula: C9H11N2O3+
  • H donors: 2 H acceptors: 3 LogP: 0.47 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C/c1cccc[n+]1CCC(=O)O
  • InChi: 1S/C9H10N2O3/c12-9(13)4-6-11-5-2-1-3-8(11)7-10-14/h1-3,5,7H,4,6H2,(H,12,13)/p+1
  • InChiKey: WYESWWQZQKMQGR-UHFFFAOYSA-O  


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
Plasmodium vivax serine/threonine kinase-1, putative 0.0064 1 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0064 1 1
Leishmania major cytochrome p450-like protein 0.002 0.1824 0.1741
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0011 0.01 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.8128 0.6028
Schistosoma mansoni cytochrome P450 0.0011 0.01 0.01
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.8128 0.8109
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.3318 0.3318
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0064 1 1
Leishmania major protein kinase, putative 0.0064 1 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.3318 0.3318
Brugia malayi intermediate filament protein 0.0028 0.3318 0.3318
Echinococcus granulosus lamin dm0 0.0028 0.3318 0.3318
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0054 0.8128 0.8109
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0039 0.5288 0.5
Schistosoma mansoni lamin 0.0028 0.3318 0.3318
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0011 0.01 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0011 0.01 0.5
Trypanosoma cruzi cytochrome P450, putative 0.002 0.1824 0.1741
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.8128 0.8128
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.8128 0.8109
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.8128 0.8128
Schistosoma mansoni serine/threonine protein kinase 0.0064 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.8128 0.6028
Schistosoma mansoni serine/threonine protein kinase 0.0064 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.8128 0.6028
Echinococcus multilocularis dual specificity protein kinase clk2 0.0064 1 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0011 0.01 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0011 0.01 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0054 0.8128 0.8109
Loa Loa (eye worm) hypothetical protein 0.0039 0.5288 0.5288
Echinococcus multilocularis 0.0011 0.01 0.01
Brugia malayi Cytochrome P450 family protein 0.0031 0.3855 0.3855
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.5288 0.524
Trypanosoma brucei cytochrome P450, putative 0.002 0.1824 0.1741
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.002 0.1824 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.3221 0.3221
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0011 0.01 0.5
Plasmodium falciparum protein serine/threonine kinase-1 0.0064 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0475 0.0475
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0011 0.01 0.5
Schistosoma mansoni lamin 0.0028 0.3318 0.3318
Echinococcus granulosus ubiquitin specific protease 41 0.0039 0.5288 0.5288
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0011 0.01 0.5
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0014 0.0572 0.0572
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.1824 0.1824
Trypanosoma brucei protein kinase, putative 0.0054 0.8128 0.8109
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0064 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.3318 0.3318
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0064 1 1
Schistosoma mansoni hypothetical protein 0.0011 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0063 0.9819 0.9819
Echinococcus granulosus dual specificity protein kinase clk2 0.0064 1 1
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.8128 0.8128
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.8128 0.8109
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0039 0.5288 0.5288
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.8128 0.8109
Leishmania major protein kinase, putative 0.0064 1 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0039 0.5288 0.5288
Trypanosoma cruzi cytochrome P450, putative 0.002 0.1824 0.1741
Onchocerca volvulus 0.0028 0.3318 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0014 0.0572 0.0572
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.5288 0.524
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0039 0.5288 0.5288
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0064 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.3855 0.3855
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0064 1 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0011 0.01 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.8128 0.8128
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0011 0.01 0.5
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0039 0.5288 0.5288
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0011 0.01 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.8128 0.8109
Brugia malayi Cytochrome P450 family protein 0.0011 0.01 0.01
Loa Loa (eye worm) CYP4Cod1 0.002 0.1824 0.1824
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.5288 0.524
Echinococcus multilocularis 0.0063 0.9819 0.9819
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0054 0.8128 0.8109
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0039 0.5288 0.524
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0064 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0011 0.01 0.5
Brugia malayi Cytochrome P450 family protein 0.002 0.1824 0.1824
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0011 0.01 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0011 0.01 0.5
Echinococcus granulosus hypothetical protein 0.0063 0.9819 0.9819
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.1824 0.1824
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0011 0.01 0.5
Brugia malayi cytochrome P450 0.0011 0.01 0.01
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0011 0.01 0.5
Mycobacterium leprae putative cytochrome p450 0.0011 0.01 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.8128 0.6028
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.8128 0.8128
Loa Loa (eye worm) intermediate filament protein 0.0028 0.3318 0.3318
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0854 0.0854
Echinococcus granulosus cytochrome P450 2K1 0.0011 0.01 0.01
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0039 0.5288 0.5288
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0011 0.01 0.5
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0064 1 1
Loa Loa (eye worm) cytochrome P450 0.0011 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0013 0.0475 0.0475
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.8128 0.8128
Loa Loa (eye worm) hypothetical protein 0.0028 0.3318 0.3318
Echinococcus multilocularis lamin 0.0028 0.3318 0.3318
Echinococcus granulosus intermediate filament protein 0.0028 0.3318 0.3318
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0011 0.01 0.5
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0011 0.01 0.5
Brugia malayi MAP kinase sur-1 0.0054 0.8128 0.8128
Echinococcus granulosus lamin 0.0028 0.3318 0.3318
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0039 0.5288 0.5288
Echinococcus multilocularis lamin dm0 0.0028 0.3318 0.3318
Brugia malayi Cytochrome P450 family protein 0.002 0.1824 0.1824
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0011 0.01 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0854 0.0854
Onchocerca volvulus 0.0028 0.3318 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0039 0.5288 0.5288
Echinococcus multilocularis musashi 0.0028 0.3318 0.3318
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0039 0.5288 0.5288
Giardia lamblia Kinase, CMGC CLK 0.0064 1 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0064 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0572 0.0572
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.8128 0.6028
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0011 0.01 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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