Detailed information for compound 251810

Basic information

Technical information
  • TDR Targets ID: 251810
  • Name: 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)met hyl]piperidin-1-yl]-3,3-diphenylprop-2-en-1-o ne
  • MW: 436.548 | Formula: C28H28N4O
  • H donors: 0 H acceptors: 3 LogP: 4.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC(CC1)Cn1c(C)nc2c1ccnc2)C=C(c1ccccc1)c1ccccc1
  • InChi: 1S/C28H28N4O/c1-21-30-26-19-29-15-12-27(26)32(21)20-22-13-16-31(17-14-22)28(33)18-25(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-12,15,18-19,22H,13-14,16-17,20H2,1H3
  • InChiKey: HAKCLDMFKDHVOI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-1-piperidyl]-3,3-diphenyl-prop-2-en-1-one
  • 1-[4-[(2-methyl-1-imidazo[4,5-c]pyridinyl)methyl]-1-piperidinyl]-3,3-diphenyl-2-propen-1-one
  • 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-diphenyl-prop-2-en-1-one
  • 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidino]-3,3-diphenyl-prop-2-en-1-one
  • 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3,3-di(phenyl)prop-2-en-1-one
  • 1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-1-piperidyl]-3,3-di(phenyl)prop-2-en-1-one
  • 1-[4-[(2-methyl-1-imidazo[4,5-c]pyridinyl)methyl]-1-piperidinyl]-3,3-di(phenyl)prop-2-en-1-one

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 lysine specific demethylase 5A 0.0058 0.0968 0.0034
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0968 0.0057
Onchocerca volvulus 0.0057 0.0937 0.5
Loa Loa (eye worm) hypothetical protein 0.0091 0.4148 0.4148
Onchocerca volvulus 0.0057 0.0937 0.5
Echinococcus granulosus leukotriene A 4 hydrolase 0.0114 0.6378 0.6003
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.0968 0.0034
Onchocerca volvulus Subfamily M14A unassigned peptidase homolog 0.0057 0.0937 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0968 0.0034
Schistosoma mansoni jumonji domain containing protein 0.0058 0.0968 0.0057
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0114 0.6378 0.6378
Brugia malayi hypothetical protein 0.0103 0.5249 0.474
Loa Loa (eye worm) hypothetical protein 0.0152 1 1
Onchocerca volvulus 0.0057 0.0937 0.5
Loa Loa (eye worm) hypothetical protein 0.0137 0.8544 0.8544
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0088 0.3837 0.5331
Onchocerca volvulus 0.0057 0.0937 0.5
Loa Loa (eye worm) hypothetical protein 0.0152 1 1
Echinococcus multilocularis muscleblind protein 0.0152 1 1
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0134 0.8233 0.8051
Echinococcus multilocularis muscleblind protein 1 0.0152 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0968 0.0968
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.0968 0.0034
Echinococcus granulosus muscleblind protein 0.0152 1 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0114 0.6378 0.6003
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0968 0.0057
Loa Loa (eye worm) hypothetical protein 0.0125 0.7383 0.7383
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0114 0.6378 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.24 uM Concentration required to inhibit PAF-induced maximum platelet aggregation in rabbit platelet-rich plasma ChEMBL. 8558517
ID50 (functional) = 0.0037 mg kg-1 Dosage required to inhibit PAF-induced mortality in mice by 50% through intravenous route ChEMBL. 8558517
ID50 (functional) = 0.0037 mg kg-1 Dosage required to inhibit PAF-induced mortality in mice by 50% through intravenous route ChEMBL. 8558517
ID50 (functional) = 0.011 mg kg-1 Dose required to reduce the lowering of the arterial blood pressure caused by PAF by 50% after intravenous administration in rats ChEMBL. 8558517
ID50 (functional) > 1 mg kg-1 Dosage required to inhibit PAF-induced mortality in mice by 50% through oral administration ChEMBL. 8558517
ID50 (functional) > 1 mg kg-1 Dosage required to inhibit PAF-induced mortality in mice by 50% through oral administration ChEMBL. 8558517

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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