Detailed information for compound 1415675

Basic information

Technical information
  • TDR Targets ID: 1415675
  • Name: N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphen yl]cyclohexanecarboxamide
  • MW: 407.57 | Formula: C21H33N3O3S
  • H donors: 1 H acceptors: 3 LogP: 3.67 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(S(=O)(=O)c1ccc(c(c1)NC(=O)C1CCCCC1)N1CCCC1)CC
  • InChi: 1S/C21H33N3O3S/c1-3-24(4-2)28(26,27)18-12-13-20(23-14-8-9-15-23)19(16-18)22-21(25)17-10-6-5-7-11-17/h12-13,16-17H,3-11,14-15H2,1-2H3,(H,22,25)
  • InChiKey: NLMZNGWOJMDPLO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]cyclohexanecarboxamide
  • N-[5-(diethylsulfamoyl)-2-1-pyrrolidinylphenyl]cyclohexanecarboxamide
  • T5250587
  • MLS000760517
  • SMR000369786

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.1137 0.3803
Schistosoma mansoni hypothetical protein 0.0033 0.1137 0.3358
Loa Loa (eye worm) RNA binding protein 0.0065 0.2989 0.2224
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.2807 0.939
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.2807 0.939
Brugia malayi RNA binding protein 0.0065 0.2989 0.2734
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.1137 0.0169
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0984 0.5
Loa Loa (eye worm) TAR-binding protein 0.0065 0.2989 0.2224
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.2807 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0984 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2989 0.8832
Loa Loa (eye worm) hypothetical protein 0.0104 0.5322 0.4811
Schistosoma mansoni hypothetical protein 0.0071 0.3385 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.2807 0.939
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.2807 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.5322 0.5152
Loa Loa (eye worm) hypothetical protein 0.0033 0.1137 0.0169
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.2807 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0984 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2807 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.5322 0.5152
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2807 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.2807 0.939
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.2807 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2989 0.8832
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2989 0.8832
Loa Loa (eye worm) hypothetical protein 0.0184 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.2989 0.2734
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.1137 0.3803
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.1137 0.3803
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.2807 1
Echinococcus multilocularis GPCR, family 2 0.0033 0.1137 0.3803
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2989 0.8832
Schistosoma mansoni hypothetical protein 0.0033 0.1137 0.3358
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.3385 0.3144
Trypanosoma brucei protein kinase, putative 0.0062 0.2807 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.3385 0.2663
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.2807 0.2022
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.2807 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.2807 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.2989 0.8832
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.2807 0.8293
Brugia malayi hypothetical protein 0.003 0.0984 0.0655
Brugia malayi MAP kinase sur-1 0.0062 0.2807 0.2545
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.2807 1
Echinococcus granulosus GPCR family 2 0.0033 0.1137 0.3803
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2807 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.1137 0.3358
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.2807 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.2989 0.2224
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0184 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.5322 0.4811
Schistosoma mansoni hypothetical protein 0.0033 0.1137 0.3358
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.2807 0.5
Brugia malayi Latrophilin receptor protein 2 0.0033 0.1137 0.0814
Echinococcus granulosus tar DNA binding protein 0.0065 0.2989 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.1137 0.0814
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.1137 0.3803
Echinococcus multilocularis tar DNA binding protein 0.0065 0.2989 1
Brugia malayi TAR-binding protein 0.0065 0.2989 0.2734

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.6573 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) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 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

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.
 
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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