Detailed information for compound 1477793

Basic information

Technical information
  • TDR Targets ID: 1477793
  • Name: 2,6-bis(4-chlorophenyl)-3,5-dimethylpiperidin -4-one
  • MW: 348.266 | Formula: C19H19Cl2NO
  • H donors: 1 H acceptors: 1 LogP: 4.71 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1C(=O)C(C)C(NC1c1ccc(cc1)Cl)c1ccc(cc1)Cl
  • InChi: 1S/C19H19Cl2NO/c1-11-17(13-3-7-15(20)8-4-13)22-18(12(2)19(11)23)14-5-9-16(21)10-6-14/h3-12,17-18,22H,1-2H3
  • InChiKey: HZJRRCMQPKSHRC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,6-bis(4-chlorophenyl)-3,5-dimethyl-piperidin-4-one
  • 2,6-bis(4-chlorophenyl)-3,5-dimethyl-4-piperidinone
  • 2,6-bis(4-chlorophenyl)-3,5-dimethyl-4-piperidone
  • Oprea1_509571
  • AM-760/13367016
  • CBMicro_039604
  • BIM-0039439.P001

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
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.0706 1
Brugia malayi hypothetical protein 0.005 0.0611 0.0611
Schistosoma mansoni hypothetical protein 0.0048 0.0528 0.0488
Schistosoma mansoni hypothetical protein 0.0103 0.2432 0.3263
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0706 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0194 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0528 0.0341
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 0.4073 0.4058
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.0706 0.0683
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.0706 1
Leishmania major hypothetical protein, conserved 0.005 0.0611 0.8601
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.015 0.4073 0.4073
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0237 0.7054 0.7046
Echinococcus granulosus c-Jun N-terminal kinases 0.0237 0.7054 0.6995
Mycobacterium ulcerans epoxide hydrolase EphA 0.0322 0.9982 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0194 0.248
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0611 0.8601
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0706 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.0706 0.0522
Schistosoma mansoni hypothetical protein 0.0205 0.5943 0.8381
Echinococcus granulosus GPCR family 2 0.0048 0.0528 0.0341
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0528 0.0528
Trypanosoma brucei protein kinase, putative 0.0053 0.0706 1
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0322 0.9982 1
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0611 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.0706 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0706 1
Echinococcus multilocularis geminin 0.0205 0.5943 0.5863
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0706 1
Brugia malayi Stress-activated protein kinase jnk-1 0.0237 0.7054 0.7054
Schistosoma mansoni hypothetical protein 0.0048 0.0528 0.0488
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.0706 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0194 0.248
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0611 0.814
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.0706 0.0522
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.0706 0.0522
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0057 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0528 0.0341
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0528 0.0341
Schistosoma mansoni hypothetical protein 0.0048 0.0528 0.0488
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0528 0.0505
Loa Loa (eye worm) hypothetical protein 0.015 0.4073 0.4058
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0194 0.248
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 0.4073 0.4073
Loa Loa (eye worm) zinc finger protein 0.0322 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0194 0.248
Brugia malayi Cytochrome P450 family protein 0.0033 0.0025 0.0025
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0611 0.5
Brugia malayi MAP kinase sur-1 0.0053 0.0706 0.0706
Brugia malayi Inositol-1 0.0038 0.0194 0.0194
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0706 1
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.0706 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0528 0.0341
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0611 0.8601
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.0706 1
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.2432 0.2432
Schistosoma mansoni hypothetical protein 0.0205 0.5943 0.8381
Echinococcus granulosus zinc finger transcription factor gli2 0.0322 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0611 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0611 0.0587
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0194 0.017
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0237 0.7054 0.6995
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.0706 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.2432 0.2413
Brugia malayi Cytochrome P450 family protein 0.0033 0.0025 0.0025
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.0706 0.0522
Echinococcus multilocularis GPCR, family 2 0.0048 0.0528 0.0341
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0706 1
Schistosoma mansoni serine/threonine protein kinase 0.0237 0.7054 1
Echinococcus multilocularis zinc finger transcription factor gli2 0.0322 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0528 0.0505
Loa Loa (eye worm) inositol-1 0.0038 0.0194 0.0169
Echinococcus granulosus geminin 0.0205 0.5943 0.5863
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0611 0.8601
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0706 0.0746
Schistosoma mansoni hypothetical protein 0.0048 0.0528 0.0488
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0528 0.0528
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0194 0.5

Activities

No activities found for this compound.

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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