Detailed information for compound 1804064

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 296.321 | Formula: C17H16N2O3
  • H donors: 0 H acceptors: 2 LogP: 2.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1ccc(c(c1)OC)OCc1nc2c(n1C)cccc2
  • InChi: 1S/C17H16N2O3/c1-19-14-6-4-3-5-13(14)18-17(19)11-22-15-8-7-12(10-20)9-16(15)21-2/h3-10H,11H2,1-2H3
  • InChiKey: HVOOJAPKJPCWBZ-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
Loa Loa (eye worm) haspin protein kinase 0.0791 0.992 0.992
Loa Loa (eye worm) hypothetical protein 0.0131 0.0837 0.0837
Entamoeba histolytica protein kinase, putative 0.0617 0.7516 1
Loa Loa (eye worm) carboxylesterase 0.0133 0.0857 0.0857
Loa Loa (eye worm) hypothetical protein 0.0133 0.0857 0.0857
Echinococcus multilocularis hypothetical protein 0.0137 0.0911 0.0578
Echinococcus granulosus mitogen activated protein kinase 15 0.0143 0.0991 0.0661
Brugia malayi Endochitinase 0.0093 0.0305 0.0141
Trypanosoma brucei protein kinase, putative 0.0143 0.0991 0.0884
Loa Loa (eye worm) hypothetical protein 0.0133 0.0857 0.0857
Loa Loa (eye worm) acetylcholinesterase 1 0.0133 0.0857 0.0857
Echinococcus granulosus dual specificity 0.0617 0.7516 0.7486
Echinococcus multilocularis dual specificity 0.0617 0.7516 0.7486
Echinococcus multilocularis cyclin dependent kinase 9 0.0143 0.0991 0.0661
Schistosoma mansoni serine/threonine protein kinase 0.0617 0.7516 0.7486
Brugia malayi Protein kinase domain containing protein 0.0143 0.0991 0.0844
Schistosoma mansoni serine/threonine protein kinase 0.0143 0.0991 0.0661
Brugia malayi GSG2 0.0791 0.992 1
Entamoeba histolytica protein kinase domain containing protein 0.0143 0.0991 0.1121
Brugia malayi Protein kinase domain containing protein 0.0097 0.0359 0.0196
Echinococcus granulosus serine:threonine protein kinase NLK 0.0143 0.0991 0.0661
Echinococcus multilocularis acetylcholinesterase 0.0133 0.0857 0.0521
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0143 0.0991 0.0661
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0143 0.0991 0.0884
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0617 0.7516 1
Onchocerca volvulus 0.0131 0.0837 1
Trichomonas vaginalis CMGC family protein kinase 0.0617 0.7516 1
Trichomonas vaginalis CMGC family protein kinase 0.0617 0.7516 1
Trichomonas vaginalis CMGC family protein kinase 0.0617 0.7516 1
Schistosoma mansoni hypothetical protein 0.0131 0.0837 0.05
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0143 0.0991 0.0884
Echinococcus multilocularis carboxylesterase 5A 0.0133 0.0857 0.0521
Loa Loa (eye worm) hypothetical protein 0.0091 0.0279 0.0279
Echinococcus granulosus acetylcholinesterase 0.0133 0.0857 0.0521
Schistosoma mansoni serine/threonine kinase 0.0143 0.0991 0.0661
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0617 0.7516 0.7516
Onchocerca volvulus 0.0131 0.0837 1
Echinococcus multilocularis acetylcholinesterase 0.0133 0.0857 0.0521
Echinococcus multilocularis dual specificity 0.0617 0.7516 0.7486
Onchocerca volvulus Putative endochitinase 0.0093 0.0305 0.2052
Trichomonas vaginalis CMGC family protein kinase 0.0617 0.7516 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.0279 0.0279
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0131 0.0837 0.05
Mycobacterium ulcerans chitinase/cellulase 0.0071 0 0.5
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0617 0.7516 0.7535
Onchocerca volvulus Putative endochitinase 0.0093 0.0305 0.2052
Entamoeba histolytica protein kinase, putative 0.0097 0.0359 0.026
Schistosoma mansoni hypothetical protein 0.0137 0.0911 0.0578
Echinococcus granulosus cyclin dependent kinase 9 0.0143 0.0991 0.0661
Brugia malayi hypothetical protein 0.0791 0.992 1
Loa Loa (eye worm) haspin protein kinase 0.0791 0.992 0.992
Schistosoma mansoni protein kinase 0.0143 0.0991 0.0661
Entamoeba histolytica hypothetical protein 0.0137 0.0911 0.1012
Echinococcus granulosus serine:threonine protein kinase haspin 0.0791 0.992 1
Echinococcus granulosus acetylcholinesterase 0.0133 0.0857 0.0521
Echinococcus granulosus serine:threonine protein kinase haspin 0.0791 0.992 1
Mycobacterium tuberculosis Possible chitinase 0.0071 0 0.5
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0617 0.7516 1
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0143 0.0991 0.0884
Entamoeba histolytica protein kinase domain containing protein 0.0617 0.7516 1
Trichomonas vaginalis CMGC family protein kinase 0.0617 0.7516 1
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0143 0.0991 0.0661
Brugia malayi cyclin-dependent kinase 7 homolog 0.0143 0.0991 0.0844
Schistosoma mansoni hypothetical protein 0.0791 0.992 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0097 0.0359 0.0359
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0097 0.0359 0.026
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0143 0.0991 0.0661
Echinococcus granulosus Pfam-B_8186 domain containing protein 0.0137 0.0911 0.0578
Loa Loa (eye worm) microfilarial chitinase 0.0081 0.0137 0.0137
Leishmania major serine/threonine kinase-like protein, putative 0.0143 0.0991 0.1121
Brugia malayi Carboxylesterase family protein 0.0133 0.0857 0.0706
Entamoeba histolytica protein kinase, putative 0.0097 0.0359 0.026
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0617 0.7516 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0143 0.0991 0.0991
Entamoeba histolytica hypothetical protein 0.0097 0.0359 0.026
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0617 0.7516 1
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0791 0.992 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0133 0.0857 0.0521
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0143 0.0991 1
Giardia lamblia Kinase, CMGC DYRK 0.0617 0.7516 1
Entamoeba histolytica protein kinase domain containing protein 0.0097 0.0359 0.026
Echinococcus granulosus carboxylesterase 5A 0.0133 0.0857 0.0521
Entamoeba histolytica cell division protein kinase 2, putative 0.0143 0.0991 0.1121
Plasmodium falciparum MO15-related protein kinase 0.0143 0.0991 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.0837 0.0837
Echinococcus granulosus serine:threonine protein kinase haspin 0.0791 0.992 1
Trichomonas vaginalis CMGC family protein kinase 0.0617 0.7516 1
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0131 0.0837 0.05
Echinococcus granulosus dual specificity 0.0617 0.7516 0.7486
Mycobacterium ulcerans chitinase/cellulase 0.0071 0 0.5
Brugia malayi endochitinase 0.0093 0.0305 0.0141
Loa Loa (eye worm) chitinase I 0.0083 0.0168 0.0168
Echinococcus granulosus dual specificity 0.0617 0.7516 0.7486
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0143 0.0991 1
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0791 0.992 1
Loa Loa (eye worm) cuticular endochitinase 0.0083 0.0168 0.0168
Echinococcus multilocularis dual specificity 0.0617 0.7516 0.7486
Onchocerca volvulus Putative endochitinase 0.0093 0.0305 0.2052
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0143 0.0991 0.1121
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0131 0.0837 0.0686
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0143 0.0991 0.0991
Brugia malayi Cell division protein kinase 2 0.0143 0.0991 0.0844
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.0143 0.0991 0.0884
Brugia malayi Carboxylesterase family protein 0.0133 0.0857 0.0706

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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