Detailed information for compound 1345256

Basic information

Technical information
  • TDR Targets ID: 1345256
  • Name: N-(3-ethoxypropyl)-1-ethylsulfonylpiperidine- 4-carboxamide
  • MW: 306.422 | Formula: C13H26N2O4S
  • H donors: 1 H acceptors: 3 LogP: 0.23 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCCCNC(=O)C1CCN(CC1)S(=O)(=O)CC
  • InChi: 1S/C13H26N2O4S/c1-3-19-11-5-8-14-13(16)12-6-9-15(10-7-12)20(17,18)4-2/h12H,3-11H2,1-2H3,(H,14,16)
  • InChiKey: KWBCTJAFAZTEOU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-ethoxypropyl)-1-ethylsulfonyl-piperidine-4-carboxamide
  • N-(3-ethoxypropyl)-1-ethylsulfonyl-4-piperidinecarboxamide
  • N-(3-ethoxypropyl)-1-ethylsulfonyl-isonipecotamide
  • MLS000096230
  • N-(3-ethoxypropyl)-1-(ethylsulfonyl)piperidine-4-carboxamide
  • EU-0064403
  • ZINC04119225
  • SMR000032178

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0217 0.0715 0.0927
Brugia malayi follicle stimulating hormone receptor 0.028 0.1131 0.1176
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0217 0.0715 0.0541
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1161 0.7032 1
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.1605 1 1
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0217 0.0715 0.0461
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0217 0.0715 0.1676
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.1605 1 1
Schistosoma mansoni pyruvate carboxylase 0.0611 0.335 0.3226
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.1605 1 1
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0217 0.0715 0.0541
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0611 0.335 1
Leishmania major carboxylase, putative 0.0611 0.335 0.3226
Trypanosoma cruzi acetyl-CoA carboxylase 0.0993 0.5909 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0611 0.335 1
Brugia malayi Carboxyl transferase domain containing protein 0.1548 0.9624 1
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0217 0.0715 0.0461
Loa Loa (eye worm) hypothetical protein 0.015 0.0266 0.0198
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0611 0.335 1
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0611 0.335 1
Chlamydia trachomatis biotin carboxylase 0.0555 0.2974 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0611 0.335 0.3226
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0217 0.0715 0.0927
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0611 0.335 0.3226
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0611 0.335 0.5531
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0217 0.0715 0.1676
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.1548 0.9624 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0611 0.335 0.3226
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0217 0.0715 0.1676
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0217 0.0715 0.1676
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0611 0.335 0.3226
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0611 0.335 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0611 0.335 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0611 0.335 0.5531
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0217 0.0715 0.0541
Trypanosoma brucei acetyl-CoA carboxylase 0.1605 1 1
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0274 0.1091 0.5
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0611 0.335 0.3169
Trypanosoma brucei unspecified product 0.0402 0.1949 0.1798
Toxoplasma gondii pyruvate carboxylase 0.0611 0.335 0.3226
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0217 0.0715 0.1676
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0274 0.1091 0.5
Brugia malayi Metabotropic glutamate receptor precursor. 0.0122 0.0077 0.008
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1161 0.7032 1
Schistosoma mansoni acetyl-CoA carboxylase 0.1605 1 1
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0611 0.335 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0217 0.0715 0.0927
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0139 0.0189 0.0005
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0217 0.0715 0.1676
Leishmania major acetyl-CoA carboxylase, putative 0.1605 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.1131 0.1105
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0611 0.335 0.3169
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0611 0.335 0.3226
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0217 0.0715 0.1676
Mycobacterium ulcerans pyruvate carboxylase 0.0611 0.335 1
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0217 0.0715 0.0541
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0217 0.0715 0.0541

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2936 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) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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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