Detailed information for compound 1757787

Basic information

Technical information
  • TDR Targets ID: 1757787
  • Name: N-[(3-chlorophenyl)methyl]-N'-(2-methoxyethyl )-1-methylpyrazolo[4,5-e]pyrimidine-4,6-diami ne
  • MW: 346.815 | Formula: C16H19ClN6O
  • H donors: 2 H acceptors: 3 LogP: 2.79 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNc1nc(NCc2cccc(c2)Cl)c2c(n1)n(C)nc2
  • InChi: 1S/C16H19ClN6O/c1-23-15-13(10-20-23)14(21-16(22-15)18-6-7-24-2)19-9-11-4-3-5-12(17)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H2,18,19,21,22)
  • InChiKey: UDOHGLDXDWVBHE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(3-chlorophenyl)methyl]-N'-(2-methoxyethyl)-1-methyl-pyrazolo[4,5-e]pyrimidine-4,6-diamine
  • (3-chlorobenzyl)-[6-(2-methoxyethylamino)-1-methyl-pyrazolo[4,5-e]pyrimidin-4-yl]amine
  • G414-1313
  • NCGC00131232-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
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 brucei serine/threonine-protein kinase NRKB, putative 0.0274 0.0074 0.0074
Entamoeba histolytica protein kinase 2, putative 0.543 0.6385 0.6385
Trypanosoma brucei Serine/threonine-protein kinase NEK21, putative 0.0274 0.0074 0.0074
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.2799 0.3165 0.3165
Schistosoma mansoni serine/threonine protein kinase 0.2799 0.3165 0.4762
Echinococcus multilocularis protein kinase c iota type 0.2799 0.3165 0.4762
Loa Loa (eye worm) AGC/PKN protein kinase 0.2799 0.3165 0.3165
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.2799 0.3165 0.4762
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0274 0.0074 0.0111
Schistosoma mansoni serine/threonine protein kinase 0.2799 0.3165 0.4762
Onchocerca volvulus Putative zinc finger protein 0.0214 0 0.5
Echinococcus granulosus Protein kinase C brain isozyme 0.2799 0.3165 0.4762
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.543 0.6385 1
Leishmania major protein kinase, putative 0.0274 0.0074 1
Entamoeba histolytica hypothetical protein 0.0274 0.0074 0.0074
Toxoplasma gondii AGC kinase 0.8169 0.9738 1
Loa Loa (eye worm) hypothetical protein 0.2799 0.3165 0.3165
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Onchocerca volvulus Putative neuronal RhoA GEF protein 0.0214 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Echinococcus granulosus nervana 2 0.537 0.6311 0.9495
Schistosoma mansoni serine/threonine protein kinase 0.2799 0.3165 0.4762
Echinococcus multilocularis nervana 2 0.537 0.6311 0.9495
Brugia malayi protein kinase C II. 0.2799 0.3165 0.3165
Entamoeba histolytica p21-activated kinase 0.0274 0.0074 0.0074
Trypanosoma cruzi rac serine-threonine kinase, putative 0.5644 0.6647 1
Trichomonas vaginalis AGC family protein kinase 0.8383 1 1
Brugia malayi Hr1 repeat family protein 0.2799 0.3165 0.3165
Brugia malayi Protein kinase domain containing protein 0.2799 0.3165 0.3165
Entamoeba histolytica protein kinase, putative 0.8383 1 1
Onchocerca volvulus 0.0214 0 0.5
Onchocerca volvulus 0.0214 0 0.5
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.2799 0.3165 0.3165
Schistosoma mansoni atypical protein kinase C 0.2799 0.3165 0.4762
Echinococcus multilocularis serine:threonine protein kinase 38 0.2799 0.3165 0.4762
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Trypanosoma brucei NEK family Serine/threonine-protein kinase, putative 0.0274 0.0074 0.0074
Onchocerca volvulus 0.0214 0 0.5
Trypanosoma brucei rac serine-threonine kinase, putative 0.8383 1 1
Echinococcus multilocularis Glutaredoxin protein 5 0.537 0.6311 0.9495
Onchocerca volvulus 0.0214 0 0.5
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.2799 0.3165 0.4762
Schistosoma mansoni serine/threonine protein kinase 0.2799 0.3165 0.4762
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Entamoeba histolytica PH domain containing protein kinase, putative 0.5644 0.6647 0.6647
Onchocerca volvulus Abnormal cell migration protein 10 homolog 0.0214 0 0.5
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.537 0.6311 0.9495
Schistosoma mansoni serine/threonine-protein kinase 0.5644 0.6647 1
Trypanosoma brucei serine/threonine-protein kinase NrkA 0.0274 0.0074 0.0074
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.2799 0.3165 0.4762
Entamoeba histolytica protein kinase, putative 0.0274 0.0074 0.0074
Echinococcus granulosus protein kinase C gamma type 0.2799 0.3165 0.4762
Trichomonas vaginalis AGC family protein kinase 0.2799 0.3165 0.3165
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.543 0.6385 0.9606
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0274 0.0074 0.0111
Schistosoma mansoni serine/threonine protein kinase 0.2799 0.3165 0.4762
Giardia lamblia Kinase, AGC PKA 0.543 0.6385 0.5
Echinococcus granulosus serine threonine protein kinase nrc 0.543 0.6385 0.9606
Entamoeba histolytica hypothetical protein 0.0274 0.0074 0.0074
Schistosoma mansoni serine/threonine kinase 0.2799 0.3165 0.4762
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0274 0.0074 0.0111
Trichomonas vaginalis AGC family protein kinase 0.3013 0.3427 0.3427
Trichomonas vaginalis AGC family protein kinase 0.8383 1 1
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Loa Loa (eye worm) AGC/NDR protein kinase 0.2799 0.3165 0.3165
Trypanosoma cruzi serine/threonine-protein kinase NRKB, putative 0.0274 0.0074 0.0111
Trichomonas vaginalis AGC family protein kinase 0.8383 1 1
Plasmodium falciparum calcium-dependent protein kinase 7 0.0274 0.0074 0.0116
Echinococcus multilocularis serine:threonine protein kinase N2 0.2799 0.3165 0.4762
Echinococcus granulosus nervana 2 0.537 0.6311 0.9495
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Entamoeba histolytica protein kinase, putative 0.0274 0.0074 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Echinococcus granulosus NDR protein kinase 0.2799 0.3165 0.4762
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0274 0.0074 0.0111
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Trypanosoma cruzi Serine/threonine-protein kinase NEK21, putative 0.0274 0.0074 0.0111
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.2739 0.3091 0.3091
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.2799 0.3165 0.3165
Brugia malayi p70 ribosomal S6 kinase beta 0.8169 0.9738 0.9738
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Entamoeba histolytica protein kinase, putative 0.2799 0.3165 0.3165
Trichomonas vaginalis AGC family protein kinase 0.8383 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0274 0.0074 0.0074
Trichomonas vaginalis ribosomal protein S6 kinase, 90kD, polypeptide, putative 0.0274 0.0074 0.0074
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.543 0.6385 0.9606
Onchocerca volvulus Protein melted homolog 0.0214 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.2799 0.3165 0.3165
Echinococcus granulosus Glutaredoxin protein 5 0.537 0.6311 0.9495
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.2799 0.3165 0.4762
Entamoeba histolytica protein kinase, putative 0.0274 0.0074 0.0074
Echinococcus granulosus protein kinase c epsilon type 0.2799 0.3165 0.4762
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative 0.0274 0.0074 1
Echinococcus granulosus serine:threonine protein kinase N2 0.2799 0.3165 0.4762
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Trypanosoma cruzi Protein kinase B 0.5644 0.6647 1
Echinococcus multilocularis protein kinase c epsilon type 0.2799 0.3165 0.4762
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.2799 0.3165 0.4762
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Onchocerca volvulus 0.0214 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.8383 1 1
Brugia malayi Protein kinase domain containing protein 0.2799 0.3165 0.3165
Entamoeba histolytica PH domain containing protein kinase, putative 0.5644 0.6647 0.6647
Echinococcus multilocularis nervana 2 0.537 0.6311 0.9495
Schistosoma mansoni serine/threonine protein kinase 0.2799 0.3165 0.4762
Plasmodium vivax calcium-dependent protein kinase 7, putative 0.0274 0.0074 0.0116
Toxoplasma gondii protein kinase domain-containing protein 0.0274 0.0074 0.0076
Echinococcus multilocularis serine threonine protein kinase 0.2799 0.3165 0.4762
Schistosoma mansoni serine/threonine protein kinase 0.2799 0.3165 0.4762
Entamoeba histolytica PH domain containing protein kinase, putative 0.0274 0.0074 0.0074
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.8169 0.9738 0.9738
Leishmania major folate/biopterin transporter, putative 0.0274 0.0074 1
Onchocerca volvulus 0.0214 0 0.5
Echinococcus granulosus protein kinase c iota type 0.2799 0.3165 0.4762
Trypanosoma cruzi rac serine-threonine kinase, putative 0.543 0.6385 0.9606
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.543 0.6385 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.2799 0.3165 0.4762
Onchocerca volvulus outspread protein homolog 0.0214 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Leishmania major protein kinase, putative 0.0274 0.0074 1
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Schistosoma mansoni serine/threonine-protein kinase 0.5644 0.6647 1
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.0274 0.0074 0.0111
Leishmania major serine/threonine-protein kinase a, putative 0.0274 0.0074 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0274 0.0074 0.0074
Echinococcus multilocularis Protein kinase C, brain isozyme 0.2799 0.3165 0.4762
Loa Loa (eye worm) AGC/AKT protein kinase 0.8383 1 1
Echinococcus multilocularis rac serine:threonine kinase 0.5644 0.6647 1
Onchocerca volvulus 0.0214 0 0.5
Toxoplasma gondii calcium dependent protein kinase CDPK7 0.0274 0.0074 0.0076
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Trypanosoma brucei protein kinase, putative 0.0274 0.0074 0.0074
Entamoeba histolytica PH domain containing protein kinase, putative 0.0274 0.0074 0.0074
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.2799 0.3165 0.4762
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Trichomonas vaginalis AGC family protein kinase 0.8383 1 1
Trichomonas vaginalis 3-phosphoinositide dependent protein kinase-1, putative 0.0274 0.0074 0.0074
Trypanosoma cruzi NIMA-related kinase, putative 0.0274 0.0074 0.0111
Trichomonas vaginalis AGC family protein kinase 0.8383 1 1
Trichomonas vaginalis AGC family protein kinase 0.0274 0.0074 0.0074
Trichomonas vaginalis AGC family protein kinase 0.2799 0.3165 0.3165
Entamoeba histolytica protein kinase, putative 0.0274 0.0074 0.0074
Echinococcus granulosus serine/threonine protein kinase 0.5644 0.6647 1
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0274 0.0074 1
Entamoeba histolytica protein kinase, putative 0.8383 1 1
Entamoeba histolytica protein kinase, putative 0.8169 0.9738 0.9738
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.537 0.6311 0.9495
Trypanosoma cruzi Serine/threonine-protein kinase NEK17, putative 0.0274 0.0074 0.0111
Trypanosoma cruzi NIMA-related kinase, putative 0.0274 0.0074 0.0111
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.2799 0.3165 0.3165
Entamoeba histolytica protein kinase, putative 0.0274 0.0074 0.0074

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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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