Detailed information for compound 1804061

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 296.321 | Formula: C17H16N2O3
  • H donors: 0 H acceptors: 2 LogP: 2.79 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)OCc1nc2c(n1C)cccc2
  • InChi: 1S/C17H16N2O3/c1-19-15-6-4-3-5-14(15)18-16(19)11-22-13-9-7-12(8-10-13)17(20)21-2/h3-10H,11H2,1-2H3
  • InChiKey: QUQSEFPMHWPIRI-UHFFFAOYSA-N  

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
Onchocerca volvulus 0.0139 0.1519 1
Onchocerca volvulus Putative endochitinase 0.0098 0.0554 0.2052
Entamoeba histolytica protein kinase domain containing protein 0.0089 0.0345 0.0127
Schistosoma mansoni protein kinase 0.0089 0.0345 0.0093
Brugia malayi Protein kinase domain containing protein 0.0089 0.0345 0.0042
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0386 0.7338 0.7338
Loa Loa (eye worm) chitinase I 0.0088 0.0304 0.0304
Echinococcus granulosus dual specificity 0.0386 0.7338 0.7336
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0386 0.7338 1
Loa Loa (eye worm) microfilarial chitinase 0.0085 0.0249 0.0249
Entamoeba histolytica protein kinase domain containing protein 0.0386 0.7338 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0093 0.0434 0.0184
Loa Loa (eye worm) hypothetical protein 0.0089 0.0344 0.0344
Entamoeba histolytica chitinase, putative 0.0088 0.0304 0.007
Leishmania major serine/threonine kinase-like protein, putative 0.0089 0.0345 0.0057
Onchocerca volvulus Putative endochitinase 0.0098 0.0554 0.2052
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0089 0.0345 0.0057
Echinococcus multilocularis carboxylesterase 5A 0.0133 0.1379 0.1164
Echinococcus multilocularis dual specificity 0.0386 0.7338 0.7336
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0089 0.0345 0.0093
Loa Loa (eye worm) hypothetical protein 0.0139 0.1519 0.1519
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0093 0.0434 0.0127
Brugia malayi Carboxylesterase family protein 0.0133 0.1379 0.1119
Echinococcus granulosus serine:threonine protein kinase NLK 0.0089 0.0345 0.0093
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0139 0.1519 0.1309
Trichomonas vaginalis CMGC family protein kinase 0.0386 0.7338 1
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0089 0.0345 0.0093
Entamoeba histolytica protein kinase, putative 0.0386 0.7338 1
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0386 0.7338 1
Onchocerca volvulus Putative endochitinase 0.0098 0.0554 0.2052
Echinococcus granulosus serine:threonine protein kinase haspin 0.0495 0.991 1
Onchocerca volvulus 0.0139 0.1519 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0133 0.1379 0.1379
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.0434 0.0185
Schistosoma mansoni serine/threonine protein kinase 0.0386 0.7338 0.7336
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0386 0.7338 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.1379 0.1379
Trichomonas vaginalis CMGC family protein kinase 0.0386 0.7338 1
Brugia malayi Protein kinase domain containing protein 0.0093 0.0434 0.0135
Entamoeba histolytica protein kinase, putative 0.0093 0.0434 0.0252
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0093 0.0434 0.0434
Brugia malayi endochitinase 0.0098 0.0554 0.0259
Loa Loa (eye worm) cuticular endochitinase 0.0088 0.0304 0.0304
Loa Loa (eye worm) hypothetical protein 0.0139 0.1519 0.1519
Entamoeba histolytica protein kinase, putative 0.0093 0.0434 0.0252
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0386 0.7338 0.7322
Echinococcus granulosus cyclin dependent kinase 9 0.0089 0.0345 0.0093
Schistosoma mansoni hypothetical protein 0.0495 0.991 1
Echinococcus granulosus acetylcholinesterase 0.0133 0.1379 0.1164
Echinococcus granulosus dual specificity 0.0093 0.0434 0.0185
Loa Loa (eye worm) carboxylesterase 0.0133 0.1379 0.1379
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0139 0.1519 0.1309
Entamoeba histolytica cell division protein kinase 2, putative 0.0089 0.0345 0.0127
Brugia malayi cyclin-dependent kinase 7 homolog 0.0089 0.0345 0.0042
Brugia malayi Carboxylesterase family protein 0.0133 0.1379 0.1119
Echinococcus granulosus acetylcholinesterase 0.0133 0.1379 0.1164
Echinococcus granulosus dual specificity 0.0386 0.7338 0.7336
Mycobacterium ulcerans chitinase/cellulase 0.0075 0 0.5
Giardia lamblia Kinase, CMGC DYRK 0.0386 0.7338 1
Mycobacterium tuberculosis Possible chitinase 0.0075 0 0.5
Echinococcus granulosus serine:threonine protein kinase haspin 0.0495 0.991 1
Brugia malayi Cell division protein kinase 2 0.0089 0.0345 0.0042
Trichomonas vaginalis CMGC family protein kinase 0.0386 0.7338 1
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0089 0.0345 0.0345
Loa Loa (eye worm) haspin protein kinase 0.0495 0.991 0.991
Echinococcus granulosus dual specificity 0.0386 0.7338 0.7336
Echinococcus multilocularis cyclin dependent kinase 9 0.0089 0.0345 0.0093
Loa Loa (eye worm) hypothetical protein 0.0133 0.1379 0.1379
Schistosoma mansoni serine/threonine protein kinase 0.0089 0.0345 0.0093
Echinococcus multilocularis dual specificity 0.0093 0.0434 0.0185
Echinococcus multilocularis dual specificity 0.0386 0.7338 0.7336
Plasmodium falciparum conserved protein, unknown function 0.0139 0.1519 1
Brugia malayi GSG2 0.0495 0.991 1
Schistosoma mansoni hypothetical protein 0.0139 0.1519 0.1309
Schistosoma mansoni serine/threonine kinase 0.0089 0.0345 0.0093
Trichomonas vaginalis CMGC family protein kinase 0.0386 0.7338 1
Echinococcus multilocularis acetylcholinesterase 0.0133 0.1379 0.1164
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0089 0.0345 0.0093
Brugia malayi Endochitinase 0.0098 0.0554 0.0259
Entamoeba histolytica protein kinase domain containing protein 0.0093 0.0434 0.0252
Trichomonas vaginalis CMGC family protein kinase 0.0386 0.7338 1
Echinococcus granulosus mitogen activated protein kinase 15 0.0089 0.0345 0.0093
Mycobacterium ulcerans chitinase/cellulase 0.0075 0 0.5
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0093 0.0434 0.0127
Plasmodium vivax hypothetical protein, conserved 0.0139 0.1519 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.0344 0.0344
Loa Loa (eye worm) haspin protein kinase 0.0495 0.991 0.991
Echinococcus multilocularis acetylcholinesterase 0.0133 0.1379 0.1164
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0139 0.1519 0.1264
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0089 0.0345 0.0345
Trichomonas vaginalis CMGC family protein kinase 0.0386 0.7338 1
Echinococcus multilocularis dual specificity 0.0386 0.7338 0.7336
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0133 0.1379 0.1164
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0386 0.7338 1
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0495 0.991 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0093 0.0434 0.0127
Echinococcus granulosus carboxylesterase 5A 0.0133 0.1379 0.1164
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0495 0.991 1
Brugia malayi hypothetical protein 0.0495 0.991 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0495 0.991 1
Entamoeba histolytica hypothetical protein 0.0093 0.0434 0.0252

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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