Detailed information for compound 1497419

Basic information

Technical information
  • TDR Targets ID: 1497419
  • Name: 1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol -1-ylphenyl)piperidine-2-carboxamide
  • MW: 364.444 | Formula: C20H24N6O
  • H donors: 1 H acceptors: 3 LogP: 1.82 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCCN1Cc1cnn(c1)C)Nc1ccc(cc1)n1cccn1
  • InChi: 1S/C20H24N6O/c1-24-14-16(13-22-24)15-25-11-3-2-5-19(25)20(27)23-17-6-8-18(9-7-17)26-12-4-10-21-26/h4,6-10,12-14,19H,2-3,5,11,15H2,1H3,(H,23,27)
  • InChiKey: DHFVQGRZAOMZEK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(1-methyl-4-pyrazolyl)methyl]-N-[4-(1-pyrazolyl)phenyl]-2-piperidinecarboxamide
  • 1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)pipecolinamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus granulosus tar DNA binding protein 0.0139 0.6486 0.6486
Loa Loa (eye worm) TAR-binding protein 0.0139 0.6486 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.5715 0.8812
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2218 0.3419
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2218 0.3419
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0113 0.5069 0.7815
Echinococcus multilocularis geminin 0.0205 1 1
Entamoeba histolytica hypothetical protein 0.0041 0.1209 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.1209 0.1209
Schistosoma mansoni tar DNA-binding protein 0.0139 0.6486 0.6486
Trichomonas vaginalis flap endonuclease-1, putative 0.0027 0.0444 0.5
Brugia malayi RNA binding protein 0.0139 0.6486 1
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0027 0.0444 0.5
Giardia lamblia Flap structure-specific endonuclease 0.0027 0.0444 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0139 0.6486 1
Plasmodium vivax flap endonuclease 1, putative 0.0027 0.0444 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.1209 0.1209
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0027 0.0444 0.5
Brugia malayi Flap endonuclease-1 0.0027 0.0444 0.0685
Echinococcus granulosus transcription factor eb 0.0113 0.5069 0.5069
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.5715 0.8812
Plasmodium falciparum flap endonuclease 1 0.0027 0.0444 0.5
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0113 0.5039 0.777
Entamoeba histolytica hypothetical protein 0.0041 0.1209 1
Echinococcus multilocularis transcription factor eb 0.0113 0.5069 0.5069
Schistosoma mansoni flap endonuclease-1 0.0025 0.0303 0.0303
Loa Loa (eye worm) flap endonuclease-1 0.0027 0.0444 0.0685
Loa Loa (eye worm) hypothetical protein 0.0041 0.1191 0.1836
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2218 0.3419
Schistosoma mansoni tar DNA-binding protein 0.0139 0.6486 0.6486
Echinococcus multilocularis tar DNA binding protein 0.0139 0.6486 0.6486
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1191 0.1836
Schistosoma mansoni tar DNA-binding protein 0.0139 0.6486 0.6486
Schistosoma mansoni tar DNA-binding protein 0.0139 0.6486 0.6486
Schistosoma mansoni hypothetical protein 0.0205 1 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.5039 0.777
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.1209 0.1209
Entamoeba histolytica hypothetical protein 0.0041 0.1209 1
Brugia malayi TAR-binding protein 0.0139 0.6486 1
Brugia malayi MH2 domain containing protein 0.0125 0.5715 0.8812
Echinococcus granulosus flap endonuclease 1 0.0027 0.0444 0.0444
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0139 0.6486 1
Entamoeba histolytica hypothetical protein 0.0041 0.1209 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0027 0.0444 0.5
Loa Loa (eye worm) RNA binding protein 0.0139 0.6486 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.1209 0.1209
Echinococcus multilocularis flap endonuclease 1 0.0027 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.006 0.2218 0.3419
Schistosoma mansoni tar DNA-binding protein 0.0139 0.6486 0.6486
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0027 0.0444 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.1191 0.1191
Brugia malayi hypothetical protein 0.0041 0.1209 0.1863

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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