Detailed information for compound 308901

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 316.355 | Formula: C16H20N4O3
  • H donors: 1 H acceptors: 3 LogP: 1.39 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCc1nc2c([nH]1)cc1c(c2)c(=O)n(c(=O)n1CC(C)C)C
  • InChi: 1S/C16H20N4O3/c1-9(2)7-20-13-6-12-11(17-14(18-12)8-23-4)5-10(13)15(21)19(3)16(20)22/h5-6,9H,7-8H2,1-4H3,(H,17,18)
  • InChiKey: HLHFDFLCZHJVPR-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 hypothetical protein, conserved 0.0024 0.0549 1
Echinococcus multilocularis epidermal growth factor receptor 0.0167 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.9837 0.9837
Trichomonas vaginalis maltase-glucoamylase, putative 0.0024 0.0549 1
Schistosoma mansoni tyrosine kinase 0.0167 1 1
Trypanosoma brucei glucosidase, putative 0.0024 0.0549 1
Brugia malayi leucyl aminopeptidase 0.0018 0.02 0.02
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.0549 1
Loa Loa (eye worm) leucyl aminopeptidase 0.0018 0.02 0.02
Echinococcus granulosus tyrosine protein kinase Src42A 0.0018 0.0195 0.0195
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0115 0.6542 0.6542
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.9837 0.9837
Brugia malayi SRC-1 0.0018 0.0195 0.0195
Echinococcus granulosus insulin receptor 0.0055 0.2611 0.2611
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0115 0.6542 0.6542
Echinococcus granulosus c src tyrosine kinase 0.0018 0.0195 0.0195
Echinococcus multilocularis tyrosine protein kinase Abl 0.0018 0.0195 0.0195
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0018 0.0195 0.0195
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0024 0.0549 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0165 0.9837 0.9837
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.0549 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0018 0.0195 0.0195
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.0549 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0024 0.0549 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0055 0.2611 0.2611
Onchocerca volvulus 0.0018 0.02 0.0204
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0024 0.0549 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0024 0.0549 0.0549
Brugia malayi FXNA 0.0018 0.02 0.02
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0024 0.0549 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0018 0.0195 0.0195
Loa Loa (eye worm) TK/EGFR protein kinase 0.0167 1 1
Echinococcus multilocularis 0.0051 0.2361 0.2361
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0018 0.0195 0.0195
Schistosoma mansoni tyrosine kinase 0.0088 0.4773 0.4773
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0024 0.0549 1
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0018 0.0195 0.0195
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0018 0.0195 0.0195
Schistosoma mansoni tyrosine kinase 0.0091 0.4976 0.4976
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.0549 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0018 0.0195 0.0195
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0055 0.2611 0.2611
Brugia malayi Glycosyl hydrolases family 31 protein 0.0165 0.9837 0.9837
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0018 0.0195 0.0195
Echinococcus granulosus tyrosine protein kinase Src64B 0.0018 0.0195 0.0195
Onchocerca volvulus Fxna peptidase homolog 0.0018 0.02 0.0204
Loa Loa (eye worm) hypothetical protein 0.0115 0.6542 0.6542
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0018 0.02 0.02
Schistosoma mansoni tyrosine kinase 0.0088 0.4773 0.4773
Schistosoma mansoni alpha-glucosidase 0.0165 0.9837 0.9837
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0024 0.0549 1
Onchocerca volvulus Glutaminyl cyclase homolog 0.0115 0.6542 0.6651
Schistosoma mansoni nicalin (M28 family) 0.0018 0.02 0.02
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.0549 1
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0018 0.02 0.02
Echinococcus granulosus tyrosine protein kinase Fyn 0.0018 0.0195 0.0195
Loa Loa (eye worm) TK/INSR protein kinase 0.0055 0.2611 0.2611
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0018 0.0195 0.0195
Trypanosoma brucei glycosyl hydrolase-like protein 0.0024 0.0549 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.02 0.02
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0024 0.0549 0.0549
Trichomonas vaginalis maltase-glucoamylase, putative 0.0024 0.0549 1
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0018 0.02 0.5
Schistosoma mansoni alpha-glucosidase 0.0165 0.9837 0.9837
Onchocerca volvulus Fxna peptidase homolog 0.0018 0.02 0.0204
Schistosoma mansoni tyrosine kinase 0.0018 0.0195 0.0195
Echinococcus granulosus tyrosine protein kinase Lyn 0.0018 0.0195 0.0195
Brugia malayi Peptidase family M28 containing protein 0.0115 0.6542 0.6542
Leishmania major alpha glucosidase II subunit, putative 0.0024 0.0549 1
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0018 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.0024 0.0549 0.0549
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0018 0.02 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.0024 0.0549 0.0549
Trypanosoma cruzi hypothetical protein, conserved 0.0024 0.0549 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0024 0.0549 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0024 0.0549 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.02 0.02
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0024 0.0549 1
Schistosoma mansoni tyrosine kinase 0.0091 0.4976 0.4976
Loa Loa (eye worm) hypothetical protein 0.0018 0.02 0.02
Leishmania major glycosyl hydrolase-like protein 0.0024 0.0549 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0165 0.9837 0.9837
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.0549 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0091 0.4976 0.4976
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0018 0.0195 0.0195
Schistosoma mansoni Fxna peptidase (M28 family) 0.0018 0.02 0.02
Echinococcus granulosus epidermal growth factor receptor 0.0167 1 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0024 0.0549 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0018 0.0195 0.0195
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.0549 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.0549 1
Schistosoma mansoni tyrosine kinase 0.0055 0.2611 0.2611
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0018 0.0195 0.0195
Echinococcus granulosus epidermal growth factor receptor 0.0091 0.4976 0.4976
Echinococcus multilocularis epidermal growth factor receptor 0.0091 0.4976 0.4976
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0024 0.0549 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0018 0.02 0.0204
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.0549 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0024 0.0549 0.0549
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0018 0.02 0.02
Brugia malayi nicalin 0.0018 0.02 0.02
Mycobacterium tuberculosis Conserved protein 0.0018 0.02 0.5
Schistosoma mansoni tyrosine kinase 0.0055 0.2611 0.2611
Loa Loa (eye worm) SRC-1 0.0018 0.0195 0.0195
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0018 0.02 0.02
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0024 0.0549 0.0558
Brugia malayi Tyrosine-protein kinase abl-1 0.0018 0.0195 0.0195
Trichomonas vaginalis alpha-glucosidase, putative 0.0024 0.0549 1
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0018 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.0018 0.02 0.02
Brugia malayi Glycosyl hydrolases family 31 protein 0.0024 0.0549 0.0549
Brugia malayi Protein kinase domain containing protein 0.0055 0.2611 0.2611
Schistosoma mansoni tyrosine kinase 0.0018 0.0195 0.0195
Echinococcus multilocularis c src tyrosine kinase 0.0018 0.0195 0.0195
Schistosoma mansoni tyrosine kinase 0.0018 0.0195 0.0195
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0018 0.0195 0.0195
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0115 0.6542 0.6542
Mycobacterium ulcerans hypothetical protein 0.0018 0.02 0.5
Schistosoma mansoni tyrosine kinase 0.0088 0.4773 0.4773
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0018 0.0195 0.0195
Onchocerca volvulus 0.0165 0.9837 1
Schistosoma mansoni tyrosine kinase 0.0018 0.0195 0.0195
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0018 0.02 0.02
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0018 0.0195 0.0195
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0018 0.0195 0.0195
Echinococcus multilocularis insulin receptor 0.0055 0.2611 0.2611
Schistosoma mansoni alpha glucosidase 0.0024 0.0549 0.0549

Activities

Activity type Activity value Assay description Source Reference
I50 (binding) = 36 uM Inhibition of Calmodulin Sensitive Phosphodiesterase 1 from pig coronary artery ChEMBL. 2423691
I50 (binding) > 50 uM Inhibition of Phosphodiesterase 2 from pig coronary artery ChEMBL. 2423691
IC50 (binding) = 36 uM Inhibition of Calmodulin Sensitive Phosphodiesterase 1 from pig coronary artery ChEMBL. 2423691
IC50 (binding) > 50 uM Inhibition of Phosphodiesterase 2 from pig coronary artery ChEMBL. 2423691

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

1 literature reference was collected for this gene.

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