Detailed information for compound 1571941

Basic information

Technical information
  • TDR Targets ID: 1571941
  • Name: (3-methylphenyl)-(4-piperidin-1-ylsulfonylpip erazin-1-yl)methanone
  • MW: 351.464 | Formula: C17H25N3O3S
  • H donors: 0 H acceptors: 3 LogP: 1.56 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)C(=O)N1CCN(CC1)S(=O)(=O)N1CCCCC1
  • InChi: 1S/C17H25N3O3S/c1-15-6-5-7-16(14-15)17(21)18-10-12-20(13-11-18)24(22,23)19-8-3-2-4-9-19/h5-7,14H,2-4,8-13H2,1H3
  • InChiKey: AKCGYBZBRIRUEJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3-methylphenyl)-[4-(1-piperidylsulfonyl)piperazin-1-yl]methanone
  • (3-methylphenyl)-[4-(1-piperidylsulfonyl)-1-piperazinyl]methanone
  • (3-methylphenyl)-(4-piperidinosulfonylpiperazin-1-yl)methanone
  • AP-124/43238068
  • ZINC04666994

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
Loa Loa (eye worm) hypothetical protein 0.0026 0.0151 0.0152
Echinococcus granulosus hypothetical protein 0.0059 0.0573 0.0424
Giardia lamblia Kinase, CMGC CLK 0.0062 0.0616 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0616 0.0466
Schistosoma mansoni serine/threonine protein kinase 0.0236 0.2859 0.2745
Loa Loa (eye worm) hypothetical protein 0.0026 0.0158 0.0158
Echinococcus granulosus protein kinase 0.0558 0.7002 0.6984
Loa Loa (eye worm) hypothetical protein 0.0233 0.2817 0.2829
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0062 0.0616 0.2137
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0233 0.2817 1
Schistosoma mansoni protein kinase 0.079 1 1
Echinococcus multilocularis 0.0059 0.0573 0.0607
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0018 0.0018
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0062 0.0616 0.2137
Echinococcus multilocularis 0.0558 0.7002 1
Schistosoma mansoni hypothetical protein 0.0233 0.2817 0.2702
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0558 0.7002 0.7031
Plasmodium vivax serine/threonine kinase-1, putative 0.0062 0.0616 0.5
Brugia malayi Cytochrome P450 family protein 0.0015 0.0018 0.0018
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0236 0.2859 0.3947
Plasmodium falciparum protein serine/threonine kinase-1 0.0062 0.0616 0.5
Echinococcus granulosus dual specificity protein kinase clk2 0.0062 0.0616 0.0468
Echinococcus multilocularis dual specificity protein kinase clk2 0.0062 0.0616 0.067
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.0233 0.2817 0.3885
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0236 0.2859 0.2757
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0158 0.0158
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0236 0.2859 0.2757
Schistosoma mansoni protein kinase 0.0558 0.7002 0.6954
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0062 0.0616 0.2137
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.0233 0.2817 0.2713
Onchocerca volvulus 0.0233 0.2817 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0062 0.0616 0.2137
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0018 0.0018
Brugia malayi intermediate filament protein 0.0026 0.0158 0.0158
Loa Loa (eye worm) hypothetical protein 0.0048 0.0441 0.0442
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0062 0.0616 0.2137
Brugia malayi Protein kinase domain containing protein 0.0062 0.0616 0.0616
Brugia malayi Cytochrome P450 family protein 0.0015 0.0018 0.0018
Schistosoma mansoni protein kinase 0.0236 0.2859 0.2745
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0233 0.2817 1
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0062 0.0616 0.5
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0233 0.2817 0.2702
Brugia malayi Temporarily assigned gene name protein 59 0.0233 0.2817 0.2817
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0233 0.2817 1
Echinococcus multilocularis tumor protein p63 0.033 0.407 0.5717
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0441 0.0288
Schistosoma mansoni rap gtpase-activating protein 0.0233 0.2817 0.2702
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0062 0.0616 0.0618
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0236 0.2859 0.2757
Loa Loa (eye worm) hypothetical protein 0.0059 0.0573 0.0576
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0158 0.0158
Schistosoma mansoni vam6/vps39 related 0.0233 0.2817 0.2702
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0062 0.0616 0.2137
Loa Loa (eye worm) hypothetical protein 0.0787 0.9957 1
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0233 0.2817 0.2702
Loa Loa (eye worm) hypothetical protein 0.0233 0.2817 0.2829
Schistosoma mansoni serine/threonine protein kinase 0.0236 0.2859 0.2745
Echinococcus granulosus tumor protein p63 0.033 0.407 0.3992
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0236 0.2859 0.3947
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.0236 0.2859 0.2871
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0787 0.9957 1
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0616 0.0466
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0015 0.0018 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0616 0.5
Leishmania major protein kinase, putative 0.0062 0.0616 1
Echinococcus granulosus Vam6:Vps39 protein 0.0233 0.2817 0.2713
Brugia malayi Protein kinase domain containing protein 0.0236 0.2859 0.2859
Onchocerca volvulus 0.0048 0.0441 0.1064
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0158 0.0158
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0018 0.0018
Brugia malayi hypothetical protein 0.0233 0.2817 0.2817
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0236 0.2859 0.3947
Loa Loa (eye worm) hypothetical protein 0.0233 0.2817 0.2829
Leishmania major protein kinase, putative 0.0062 0.0616 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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