Detailed information for compound 1585496

Basic information

Technical information
  • TDR Targets ID: 1585496
  • Name: N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-2-py rrolidin-1-ylpyrimidine-5-carboxamide
  • MW: 356.419 | Formula: C19H24N4O3
  • H donors: 1 H acceptors: 3 LogP: 2.26 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1CNC(=O)c1cnc(nc1C)N1CCCC1
  • InChi: 1S/C19H24N4O3/c1-13-16(12-21-19(22-13)23-8-4-5-9-23)18(24)20-11-14-6-7-15(25-2)10-17(14)26-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,24)
  • InChiKey: KTEWQIDRLNKMAC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-2-pyrrolidin-1-yl-pyrimidine-5-carboxamide
  • N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-2-1-pyrrolidinyl-5-pyrimidinecarboxamide
  • N-(2,4-dimethoxybenzyl)-4-methyl-2-pyrrolidin-1-yl-pyrimidine-5-carboxamide
  • G415-3134
  • NCGC00131360-01

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
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.019 0.2678 0.5
Onchocerca volvulus 0.0158 0.2213 0.4898
Trichomonas vaginalis CAMK family protein kinase 0.0317 0.4517 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.019 0.2678 0.5928
Echinococcus granulosus defective proboscis extension response 0.0011 0.0064 0.0142
Echinococcus granulosus twitchin 0.0017 0.0155 0.0344
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0317 0.4517 1
Echinococcus multilocularis Immunoglobulin 0.0011 0.0064 0.0142
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0014 0.0115 0.0254
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0317 0.4517 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.019 0.2678 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.019 0.2678 1
Loa Loa (eye worm) hypothetical protein 0.0693 1 1
Echinococcus granulosus neuroglian 0.0013 0.0104 0.0229
Echinococcus granulosus roundabout 2 0.0017 0.0154 0.0342
Brugia malayi Immunoglobulin I-set domain containing protein 0.0173 0.2433 0.2433
Echinococcus granulosus serine:threonine protein kinase 12 B 0.019 0.2678 0.5928
Echinococcus multilocularis Immunoglobulin 0.0011 0.0064 0.0142
Brugia malayi Fibronectin type III domain containing protein 0.0011 0.0064 0.0064
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0064 0.0142
Schistosoma mansoni serine/threonine protein kinase 0.019 0.2678 0.5928
Loa Loa (eye worm) AUR protein kinase 0.019 0.2678 0.2678
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.001 0.0051 0.0051
Brugia malayi serine/threonine kinase 12 0.019 0.2678 0.2678
Loa Loa (eye worm) hypothetical protein 0.0017 0.0154 0.0154
Echinococcus multilocularis neuroglian 0.0013 0.0104 0.0229
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.0064
Trichomonas vaginalis AGC family protein kinase 0.019 0.2678 0.5283
Brugia malayi Immunoglobulin I-set domain containing protein 0.0011 0.0064 0.0064
Schistosoma mansoni tyrosine kinase 0.0007 0.0013 0.0029
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0011 0.0064 0.0142
Loa Loa (eye worm) hypothetical protein 0.0014 0.0115 0.0115
Echinococcus granulosus aurora kinase A 0.019 0.2678 0.5928
Leishmania major protein kinase, putative 0.019 0.2678 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.0162 0.2267 0.5018
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.0064
Entamoeba histolytica protein kinase , putative 0.019 0.2678 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.0064
Brugia malayi Protein kinase domain containing protein 0.0317 0.4517 0.4517
Loa Loa (eye worm) hypothetical protein 0.0049 0.0617 0.0617
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.019 0.2678 0.5
Entamoeba histolytica protein kinase, putative 0.019 0.2678 0.5
Brugia malayi hypothetical protein 0.0049 0.0617 0.0617
Schistosoma mansoni nephrin 0.0013 0.0104 0.0229
Loa Loa (eye worm) AUR protein kinase 0.019 0.2678 0.2678
Loa Loa (eye worm) AUR protein kinase 0.019 0.2678 0.2678
Echinococcus multilocularis aurora kinase A 0.019 0.2678 0.5928
Toxoplasma gondii aurora kinase 0.019 0.2678 1
Loa Loa (eye worm) TTK protein kinase 0.0317 0.4517 0.4517
Onchocerca volvulus 0.0049 0.0617 0.1367
Brugia malayi hypothetical protein 0.0011 0.0064 0.0064
Schistosoma mansoni vesicular amine transporter 0.0011 0.0064 0.0142
Trypanosoma brucei aurora B kinase 0.019 0.2678 0.5
Trichomonas vaginalis AGC family protein kinase 0.019 0.2678 0.5283
Brugia malayi serine/threonine protein kinase 6 0.019 0.2678 0.2678
Schistosoma mansoni protein kinase 0.019 0.2678 0.5928
Echinococcus granulosus Immunoglobulin 0.0011 0.0064 0.0142
Trichomonas vaginalis CAMK family protein kinase 0.0317 0.4517 1
Trichomonas vaginalis AGC family protein kinase 0.019 0.2678 0.5283
Brugia malayi serine/threonine-protein kinase 6 0.019 0.2678 0.2678
Loa Loa (eye worm) hypothetical protein 0.0017 0.0154 0.0154
Trichomonas vaginalis AGC family protein kinase 0.019 0.2678 0.5283
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.019 0.2678 0.5
Trypanosoma cruzi aurora B kinase, putative 0.019 0.2678 0.5
Entamoeba histolytica protein kinase, putative 0.019 0.2678 0.5
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0064 0.0142
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.0064
Echinococcus multilocularis roundabout 2 0.0017 0.0154 0.0342
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0173 0.2433 0.2433
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0317 0.4517 1
Schistosoma mansoni cell adhesion molecule 0.0014 0.0115 0.0254
Loa Loa (eye worm) hypothetical protein 0.0011 0.0064 0.0064
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0317 0.4517 1
Entamoeba histolytica protein kinase domain containing protein 0.019 0.2678 0.5
Giardia lamblia Kinase, TTK 0.0317 0.4517 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 79.4328 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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