Detailed information for compound 1299076

Basic information

Technical information
  • TDR Targets ID: 1299076
  • Name: 2,3,5,6-tetra(phenyl)piperidin-4-one
  • MW: 403.515 | Formula: C29H25NO
  • H donors: 1 H acceptors: 1 LogP: 5.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C(c2ccccc2)C(NC(C1c1ccccc1)c1ccccc1)c1ccccc1
  • InChi: 1S/C29H25NO/c31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30-28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22/h1-20,25-28,30H
  • InChiKey: CRLQJTSACHTAGF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,3,5,6-tetra(phenyl)-4-piperidinone
  • 2,3,5,6-tetra(phenyl)-4-piperidone
  • MLS000551150
  • SMR000176425
  • 2,3,5,6-Tetraphenyl-piperidin-4-one
  • BAS 01059357
  • ChemDiv1_021312
  • Oprea1_163898
  • Oprea1_392833
  • STK343777

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
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 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi prolyl oligopeptidase family protein 0.0196 0.2797 0.2797
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.446 0.446
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0046 0.0009 0.5
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0327 0.0327
Onchocerca volvulus 0.0058 0.0232 0.0223
Echinococcus multilocularis geminin 0.0205 0.2955 0.2955
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0046 0.0009 0.0009
Echinococcus granulosus acylamino acid releasing enzyme 0.0046 0.0009 0.0009
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0327 0.0327
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0076 0.0076
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0583 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0327 0.0327
Brugia malayi RNA binding protein 0.0063 0.0327 0.0327
Schistosoma mansoni hypothetical protein 0.0205 0.2955 0.2955
Loa Loa (eye worm) hypothetical protein 0.0286 0.446 0.446
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0196 0.2797 0.2797
Echinococcus granulosus geminin 0.0205 0.2955 0.2955
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0583 1 1
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0046 0.0009 0.5
Giardia lamblia Alanyl dipeptidyl peptidase 0.0046 0.0009 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0232 0.0232
Loa Loa (eye worm) prolyl oligopeptidase 0.0046 0.0009 0.0009
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0327 0.0327
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0196 0.2797 1
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0046 0.0009 0.0009
Mycobacterium tuberculosis Probable peptidase 0.0046 0.0009 0.5
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0046 0.0009 0.5
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0196 0.2797 1
Brugia malayi hypothetical protein 0.015 0.1937 0.1937
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0327 0.0327
Echinococcus multilocularis acylamino acid releasing enzyme 0.0046 0.0009 0.0009
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0046 0.0009 0.0009
Entamoeba histolytica hypothetical protein, conserved 0.0046 0.0009 0.5
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0046 0.0009 0.5
Schistosoma mansoni survival motor neuron protein 0.0058 0.0232 0.0232
Echinococcus granulosus Dipeptidyl peptidase 9 0.0196 0.2797 0.2797
Brugia malayi prolyl oligopeptidase family protein 0.0046 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0046 0.0009 0.0009
Brugia malayi TAR-binding protein 0.0063 0.0327 0.0327
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.446 0.446
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0196 0.2797 0.2797
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0583 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0046 0.0009 0.0009
Entamoeba histolytica prolyl oligopeptidase family protein 0.0046 0.0009 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0076 0.0076
Loa Loa (eye worm) prolyl oligopeptidase 0.0583 1 1
Loa Loa (eye worm) RNA binding protein 0.0063 0.0327 0.0327
Brugia malayi prolyl oligopeptidase family protein 0.0046 0.0009 0.0009
Brugia malayi hypothetical protein 0.0286 0.446 0.446
Giardia lamblia Alanyl dipeptidyl peptidase 0.0046 0.0009 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0196 0.2797 1
Plasmodium falciparum peptidase, putative 0.0046 0.0009 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0046 0.0009 0.0009
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0327 0.0327
Schistosoma mansoni hypothetical protein 0.0205 0.2955 0.2955
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0196 0.2797 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0196 0.2797 1
Echinococcus granulosus prolyl endopeptidase 0.0046 0.0009 0.0009
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0583 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0076 0.0076
Entamoeba histolytica prolyl oligopeptidase family protein 0.0046 0.0009 0.5
Echinococcus granulosus tar DNA binding protein 0.0063 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.015 0.1937 0.1937
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0046 0.0009 0.5
Schistosoma mansoni hypothetical protein 0.0058 0.0232 0.0232
Brugia malayi prolyl oligopeptidase family protein 0.0046 0.0009 0.0009
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0046 0.0009 0.5
Plasmodium vivax hypothetical protein, conserved 0.0046 0.0009 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0009 0.0009
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0009 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0046 0.0009 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0196 0.2797 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0046 0.0009 0.5
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0327 0.0327
Echinococcus multilocularis prolyl endopeptidase 0.0046 0.0009 0.0009
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0327 0.0327
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0327 0.0327

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0046 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) = 0.0316 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.8199 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.8526 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) 2.9362 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) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 79.4328 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
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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