Detailed information for compound 1377333

Basic information

Technical information
  • TDR Targets ID: 1377333
  • Name: 1-(4-acetamidophenyl)sulfonyl-4-piperidin-1-y lpiperidine-4-carboxamide
  • MW: 408.515 | Formula: C19H28N4O4S
  • H donors: 2 H acceptors: 4 LogP: 0.42 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)C1(CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)C)N1CCCCC1
  • InChi: 1S/C19H28N4O4S/c1-15(24)21-16-5-7-17(8-6-16)28(26,27)23-13-9-19(10-14-23,18(20)25)22-11-3-2-4-12-22/h5-8H,2-4,9-14H2,1H3,(H2,20,25)(H,21,24)
  • InChiKey: JQBIZXBPTYSEIC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-acetamidophenyl)sulfonyl-4-(1-piperidyl)piperidine-4-carboxamide
  • 1-(4-acetamidophenyl)sulfonyl-4-(1-piperidyl)-4-piperidinecarboxamide
  • 1-(4-acetamidophenyl)sulfonyl-4-piperidino-isonipecotamide
  • 1-(4-acetamidophenyl)sulfonyl-4-piperidin-1-yl-piperidine-4-carboxamide
  • BAS 13091409
  • 1-{[4-(acetylamino)phenyl]sulfonyl}-1',4-bipiperidine-4-carboxamide
  • AO-080/43378187
  • A3764/0159627
  • 1'-(4-Acetylamino-benzenesulfonyl)-[1,4']bipiperidinyl-4'-carboxylic acid amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0081 0.0081 0.0586
Giardia lamblia Replication factor C, subunit 1 0.0081 0.0081 0.5
Echinococcus multilocularis mothers against decapentaplegic 6 0.0066 0.0012 0.0026
Echinococcus multilocularis mothers against decapentaplegic 2 0.0066 0.0012 0.0026
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0977 0.4325 0.9496
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0238 0.0824 0.0824
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0238 0.0824 0.1809
Loa Loa (eye worm) Smad1 0.0148 0.04 0.04
Schistosoma mansoni DNA ligase IV 0.0081 0.0081 0.0137
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.0081 0.0586
Loa Loa (eye worm) RNA binding protein 0.1026 0.4555 0.4555
Loa Loa (eye worm) hypothetical protein 0.0066 0.0012 0.0012
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1922 0.8801 0.8801
Loa Loa (eye worm) hypothetical protein 0.0351 0.1359 0.1359
Schistosoma mansoni hypothetical protein 0.0608 0.2578 0.4355
Brugia malayi MH2 domain containing protein 0.0066 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0081 0.0081 0.0081
Brugia malayi Probable ClpP-like protease 0.0965 0.4269 0.4269
Loa Loa (eye worm) hypothetical protein 0.0781 0.3395 0.3395
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0977 0.4325 0.7305
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0081 0.0081 0.5
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0977 0.4325 0.9496
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.0081 0.5
Brugia malayi MH1 domain containing protein 0.0148 0.04 0.04
Plasmodium falciparum ataxin-2 like protein, putative 0.0355 0.138 0.3233
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0977 0.4325 0.4325
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1026 0.4555 0.4555
Schistosoma mansoni hypothetical protein 0.0159 0.0453 0.0765
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0238 0.0824 0.1809
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0633 0.2694 0.624
Trichomonas vaginalis replication factor C large subunit, putative 0.0081 0.0081 0.5
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0081 0.0081 0.0081
Echinococcus granulosus GPCR family 2 0.0608 0.2578 0.5661
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0081 0.0081 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0608 0.2578 0.5661
Loa Loa (eye worm) hypothetical protein 0.0081 0.0081 0.0081
Brugia malayi Calcitonin receptor-like protein seb-1 0.1922 0.8801 0.8801
Entamoeba histolytica hypothetical protein 0.0108 0.0211 1
Echinococcus granulosus mothers against decapentaplegic 6 0.0066 0.0012 0.0026
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0965 0.4269 1
Echinococcus granulosus nibrin 0.0081 0.0081 0.0178
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0081 0.0081 0.019
Brugia malayi TAR-binding protein 0.1026 0.4555 0.4555
Toxoplasma gondii ATPase, AAA family protein 0.0081 0.0081 0.019
Schistosoma mansoni topbp1 0.0081 0.0081 0.0137
Echinococcus granulosus peptidase Clp S14 family 0.0633 0.2694 0.5915
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0108 0.0211 0.0463
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0608 0.2578 0.2578
Trypanosoma cruzi PAB1-binding protein , putative 0.0355 0.138 1
Plasmodium vivax ataxin-2 like protein, putative 0.0355 0.138 0.3233
Schistosoma mansoni inhibitor of apoptosis protein 0.0977 0.4325 0.7305
Schistosoma mansoni hypothetical protein 0.0108 0.0211 0.0356
Trypanosoma cruzi FHA domain containing protein, putative 0.0081 0.0081 0.0586
Schistosoma mansoni transcription factor LCR-F1 0.0108 0.0211 0.0356
Schistosoma mansoni smad1 5 8 and 0.0148 0.04 0.0676
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1922 0.8801 0.8801
Schistosoma mansoni tar DNA-binding protein 0.1026 0.4555 0.7693
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0965 0.4269 0.9372
Schistosoma mansoni smad1 5 8 and 0.0148 0.04 0.0676
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.0081 0.5
Echinococcus multilocularis inhibitor of apoptosis protein 0.0977 0.4325 0.9496
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0965 0.4269 1
Brugia malayi RNA binding protein 0.1026 0.4555 0.4555
Loa Loa (eye worm) MH2 domain-containing protein 0.0148 0.04 0.04
Brugia malayi hypothetical protein 0.0355 0.138 0.138
Brugia malayi MH1 domain containing protein 0.0082 0.0086 0.0086
Entamoeba histolytica hypothetical protein 0.0108 0.0211 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0108 0.0211 0.0463
Loa Loa (eye worm) latrophilin receptor protein 2 0.0608 0.2578 0.2578
Schistosoma mansoni hypothetical protein 0.0608 0.2578 0.4355
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0608 0.2578 0.5661
Brugia malayi MH2 domain containing protein 0.0148 0.04 0.04
Echinococcus multilocularis smad 0.0148 0.04 0.0879
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.0081 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.0081 0.0081
Echinococcus multilocularis mothers against decapentaplegic 5 0.0148 0.04 0.0879
Loa Loa (eye worm) hypothetical protein 0.0977 0.4325 0.4325
Brugia malayi hypothetical protein 0.0081 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0608 0.2578 0.2578
Toxoplasma gondii hypothetical protein 0.0333 0.1273 0.2982
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0238 0.0824 0.1392
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.0081 0.5
Schistosoma mansoni smad 0.0066 0.0012 0.002
Echinococcus granulosus inhibitor of apoptosis protein 0.0977 0.4325 0.9496
Loa Loa (eye worm) transcription factor SMAD2 0.2175 1 1
Schistosoma mansoni Smad4 0.0148 0.04 0.0676
Schistosoma mansoni smad 0.0148 0.04 0.0676
Schistosoma mansoni tar DNA-binding protein 0.1026 0.4555 0.7693
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0965 0.4269 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0965 0.4269 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0148 0.04 0.04
Echinococcus granulosus mothers against decapentaplegic 2 0.0066 0.0012 0.0026
Entamoeba histolytica hypothetical protein 0.0108 0.0211 1
Echinococcus granulosus Smad4 0.0148 0.04 0.0879
Loa Loa (eye worm) nuclear factor I 0.0082 0.0086 0.0086
Brugia malayi Smad1 0.0148 0.04 0.04
Echinococcus granulosus mothers against decapentaplegic 5 0.0148 0.04 0.0879
Brugia malayi MH2 domain containing protein 0.0148 0.04 0.04
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0977 0.4325 0.4325
Brugia malayi hypothetical protein 0.0108 0.0211 0.0211
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.0081 0.5
Brugia malayi DKFZp564C0469 protein 0.0081 0.0081 0.0081
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0965 0.4269 1
Brugia malayi RNA recognition motif domain containing protein 0.1026 0.4555 0.4555
Schistosoma mansoni chromosome transmission fidelity factor 0.0081 0.0081 0.0137
Schistosoma mansoni tar DNA-binding protein 0.1026 0.4555 0.7693
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0333 0.1273 0.2982
Trypanosoma brucei PAB1-binding protein , putative 0.0355 0.138 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0965 0.4269 1
Plasmodium falciparum replication factor C subunit 1, putative 0.0081 0.0081 0.019
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0608 0.2578 0.5661
Schistosoma mansoni Smad4 0.0066 0.0012 0.002
Onchocerca volvulus 0.0081 0.0081 0.016
Loa Loa (eye worm) TAR-binding protein 0.1026 0.4555 0.4555
Schistosoma mansoni Smad4 0.0066 0.0012 0.002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0238 0.0824 0.1392
Brugia malayi MH1 domain containing protein 0.0082 0.0086 0.0086
Loa Loa (eye worm) MH2 domain-containing protein 0.2175 1 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0633 0.2694 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0965 0.4269 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0333 0.1273 0.2846
Loa Loa (eye worm) hypothetical protein 0.0081 0.0081 0.0081
Plasmodium vivax replication factor C subunit 1, putative 0.0081 0.0081 0.019
Echinococcus multilocularis peptidase Clp (S14 family) 0.0633 0.2694 0.5915
Schistosoma mansoni tar DNA-binding protein 0.1026 0.4555 0.7693
Brugia malayi latrophilin 2 splice variant baaae 0.1314 0.5921 0.5921
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0965 0.4269 1
Schistosoma mansoni hypothetical protein 0.0608 0.2578 0.4355
Echinococcus multilocularis GPCR, family 2 0.0608 0.2578 0.5661
Loa Loa (eye worm) MH1 domain-containing protein 0.0066 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0355 0.138 0.138
Schistosoma mansoni hypothetical protein 0.1314 0.5921 1
Schistosoma mansoni tar DNA-binding protein 0.1026 0.4555 0.7693
Leishmania major hypothetical protein, conserved 0.0355 0.138 1
Echinococcus granulosus smad 0.0148 0.04 0.0879
Brugia malayi MH1 domain containing protein 0.0148 0.04 0.04
Echinococcus granulosus tar DNA binding protein 0.1026 0.4555 1
Entamoeba histolytica hypothetical protein 0.0108 0.0211 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0081 0.0081 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.0081 0.0081
Brugia malayi hypothetical protein 0.0781 0.3395 0.3395
Schistosoma mansoni smad1 5 8 and 0.0148 0.04 0.0676
Schistosoma mansoni peptidase Clp (S14 family) 0.0965 0.4269 0.721
Echinococcus granulosus replication factor c subunit 1 0.0081 0.0081 0.0178
Schistosoma mansoni hypothetical protein 0.0977 0.4325 0.7305
Loa Loa (eye worm) hypothetical protein 0.0977 0.4325 0.4325
Loa Loa (eye worm) MH2 domain-containing protein 0.0066 0.0012 0.0012
Brugia malayi hypothetical protein 0.0081 0.0081 0.0081
Brugia malayi mothers against decapentaplegic homolog 3 0.0066 0.0012 0.0012
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0238 0.0824 0.0824
Loa Loa (eye worm) hypothetical protein 0.1314 0.5921 0.5921
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0148 0.04 0.0879
Echinococcus multilocularis nibrin 0.0081 0.0081 0.0178
Brugia malayi topoisomerase 0.0081 0.0081 0.0081
Onchocerca volvulus Deterin homolog 0.0977 0.4325 1
Loa Loa (eye worm) hypothetical protein 0.0965 0.4269 0.4269
Echinococcus multilocularis tar DNA binding protein 0.1026 0.4555 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0965 0.4269 1
Loa Loa (eye worm) hypothetical protein 0.1922 0.8801 0.8801
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0333 0.1273 0.2982
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0238 0.0824 0.1392
Plasmodium falciparum ataxin-2 like protein, putative 0.0355 0.138 0.3233
Brugia malayi N-terminal motif family protein 0.0351 0.1359 0.1359
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0608 0.2578 0.5661
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0965 0.4269 0.9372
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0238 0.0824 0.1809
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0965 0.4269 1
Schistosoma mansoni hypothetical protein 0.0608 0.2578 0.4355
Echinococcus multilocularis replication factor c subunit 1 0.0081 0.0081 0.0178
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0351 0.1359 0.3122
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0159 0.0453 0.0994
Onchocerca volvulus 0.0781 0.3395 0.7843
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0633 0.2694 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0081 0.0081 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0148 0.04 0.0879
Trypanosoma cruzi hypothetical protein, conserved 0.0081 0.0081 0.0586
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0965 0.4269 1
Toxoplasma gondii LsmAD domain-containing protein 0.0355 0.138 0.3233
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0238 0.0824 0.1809
Onchocerca volvulus 0.0977 0.4325 1
Schistosoma mansoni topbp1 0.0081 0.0081 0.0137
Echinococcus multilocularis Smad4 0.0148 0.04 0.0879
Brugia malayi Latrophilin receptor protein 2 0.0608 0.2578 0.2578
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0333 0.1273 0.2846
Loa Loa (eye worm) hypothetical protein 0.0081 0.0081 0.0081
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0148 0.04 0.0676
Brugia malayi Pax transcription activation domain interacting protein 0.0081 0.0081 0.0081
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0159 0.0453 0.0994
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0081 0.0081 0.0586
Loa Loa (eye worm) hypothetical protein 0.0082 0.0086 0.0086
Trypanosoma cruzi PAB1-binding protein , putative 0.0355 0.138 1
Brugia malayi hypothetical protein 0.0229 0.0784 0.0784

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

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.
 
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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