Detailed information for compound 511705

Basic information

Technical information
  • TDR Targets ID: 511705
  • Name: 1-(7H-purin-6-yl)piperidine-4-carboxamide
  • MW: 246.268 | Formula: C11H14N6O
  • H donors: 2 H acceptors: 4 LogP: -0.07 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)C1CCN(CC1)c1ncnc2c1nc[nH]2
  • InChi: 1S/C11H14N6O/c12-9(18)7-1-3-17(4-2-7)11-8-10(14-5-13-8)15-6-16-11/h5-7H,1-4H2,(H2,12,18)(H,13,14,15,16)
  • InChiKey: QPKOOAWJSYVLQU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(7H-purin-6-yl)-4-piperidinecarboxamide
  • 1-(7H-purin-6-yl)isonipecotamide
  • Oprea1_796334
  • T0519-0041
  • ZINC00213852

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
Echinococcus granulosus peregrin 0.0033 0.0732 0.0611
Schistosoma mansoni jumonji domain containing protein 0.0079 0.3711 0.3711
Entamoeba histolytica hypothetical protein 0.0037 0.1031 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.1113 0.3307
Giardia lamblia PHD finger protein 15 0.003 0.0573 0.5
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0573 0.045
Entamoeba histolytica hypothetical protein 0.0037 0.1031 0.5
Brugia malayi hypothetical protein 0.0037 0.1031 0.1568
Schistosoma mansoni hypothetical protein 0.0176 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.1031 0.0914
Loa Loa (eye worm) hypothetical protein 0.0052 0.1972 0.5859
Entamoeba histolytica hypothetical protein 0.0037 0.1031 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.1113 0.0998
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.1031 0.0914
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.004 0.1192 0.3541
Schistosoma mansoni hypothetical protein 0.003 0.0573 0.0573
Onchocerca volvulus Alhambra homolog 0.003 0.0573 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.503 0.4965
Loa Loa (eye worm) hypothetical protein 0.0042 0.1351 0.4014
Plasmodium vivax hypothetical protein, conserved 0.003 0.0573 0.5
Brugia malayi PHD-finger family protein 0.003 0.0573 0.0601
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0985 0.0868
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.1113 0.1113
Schistosoma mansoni hypothetical protein 0.0037 0.1031 0.1031
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.2625 0.2529
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0573 0.1701
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0573 0.045
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.2625 0.2529
Brugia malayi jmjC domain containing protein 0.0039 0.1113 0.1741
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0573 0.0573
Loa Loa (eye worm) hypothetical protein 0.0074 0.3366 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.1028 0.0911
Loa Loa (eye worm) hypothetical protein 0.0044 0.1479 0.4395
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.2659 0.7899
Loa Loa (eye worm) hypothetical protein 0.003 0.0573 0.1701
Brugia malayi Bromodomain containing protein 0.0033 0.0732 0.0937
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.1031 0.1031
Brugia malayi Bromodomain containing protein 0.004 0.1187 0.1897
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.134 0.1227
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0573 0.5
Schistosoma mansoni bromodomain containing protein 0.0066 0.2866 0.2866
Plasmodium falciparum phd finger protein, putative 0.003 0.0573 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0573 0.5
Echinococcus multilocularis peregrin 0.0033 0.0732 0.0611
Brugia malayi Bromodomain containing protein 0.0078 0.3653 0.7097
Schistosoma mansoni hypothetical protein 0.0176 1 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.503 0.4965
Echinococcus granulosus jumonji domain containing protein 0.0042 0.134 0.1227
Brugia malayi jmjC domain containing protein 0.0099 0.503 1
Entamoeba histolytica hypothetical protein 0.0037 0.1031 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.1113 0.1113
Echinococcus multilocularis geminin 0.0176 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.1028 0.0911

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of GSK3beta (unknown origin) in human PC3M cells by ELISA ChEMBL. 18345609
IC50 (binding) 0 Inhibition of recombinant catalytic subunit PKA (unknown origin) by radiometric filter binding assay ChEMBL. 18345609
IC50 (functional) 0 Growth inhibition of human PC3M cells by SRB assay ChEMBL. 18345609
IC50 (binding) 0 Inhibition of GSK3beta (unknown origin) in human PC3M cells by ELISA ChEMBL. 18345609
IC50 (binding) = 41000 nM Inhibition of PKBbeta recombinant (unknown origin) by radiometric filter binding assay ChEMBL. 18345609
IC50 (binding) = 41000 nM Inhibition of PKBbeta recombinant (unknown origin) by radiometric filter binding assay ChEMBL. 18345609

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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