Detailed information for compound 1196753

Basic information

Technical information
  • TDR Targets ID: 1196753
  • Name: 2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylph enyl)acetamide
  • MW: 379.517 | Formula: C19H29N3O3S
  • H donors: 1 H acceptors: 3 LogP: 2.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)CN1CCCCCC1
  • InChi: 1S/C19H29N3O3S/c23-19(16-21-12-4-1-2-5-13-21)20-17-8-10-18(11-9-17)26(24,25)22-14-6-3-7-15-22/h8-11H,1-7,12-16H2,(H,20,23)
  • InChiKey: DCFANXBOWHBWJM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(azepan-1-yl)-N-[4-(1-piperidylsulfonyl)phenyl]acetamide
  • 2-(1-azepanyl)-N-[4-(1-piperidylsulfonyl)phenyl]acetamide
  • 2-(azepan-1-yl)-N-(4-piperidinosulfonylphenyl)acetamide
  • 2-(azepan-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide
  • 2-Azepan-1-yl-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide
  • ASN 03798087
  • T5589807

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0269 0.0348
Loa Loa (eye worm) hypothetical protein 0.0046 0.0122 0.0158
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.089 0.1154
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0131 0.7399
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0122 0.0158
Echinococcus multilocularis dna polymerase eta 0.0054 0.0204 0.0204
Brugia malayi CHE-14 protein 0.0051 0.0172 0.0222
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.0174 0.0307
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0572 0.5684 1
Brugia malayi RNA, U transporter 1 0.0099 0.068 0.0881
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0131 0.0647
Brugia malayi Carboxylesterase family protein 0.0274 0.2534 0.3284
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0174 0.0249
Schistosoma mansoni hypothetical protein 0.0372 0.3567 0.4623
Brugia malayi Carboxylesterase family protein 0.0274 0.2534 0.3284
Onchocerca volvulus 0.0046 0.0122 0.6788
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0172 0.0222
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0122 0.0158
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0572 0.5684 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0034 0.0044
Mycobacterium ulcerans hypothetical protein 0.0192 0.1665 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0172 0.0222
Onchocerca volvulus 0.0046 0.0122 0.6788
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.0204 0.0359
Loa Loa (eye worm) hypothetical protein 0.0046 0.0122 0.0158
Mycobacterium tuberculosis Carboxylesterase LipT 0.0046 0.0122 0.042
Echinococcus granulosus geminin 0.0205 0.1798 0.233
Loa Loa (eye worm) hypothetical protein 0.0046 0.0122 0.0158
Loa Loa (eye worm) hypothetical protein 0.0047 0.0131 0.0169
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.0204 0.0264
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.089 0.1154
Loa Loa (eye worm) carboxylesterase 0.0274 0.2534 0.3284
Echinococcus multilocularis protein dispatched 1 0.0058 0.0248 0.0248
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0067 0.0087
Brugia malayi Carboxylesterase family protein 0.0046 0.0122 0.0158
Onchocerca volvulus 0.0046 0.0122 0.6788
Brugia malayi Carboxylesterase family protein 0.0046 0.0122 0.0158
Schistosoma mansoni DNA topoisomerase type I 0.0572 0.5684 0.7367
Schistosoma mansoni hypothetical protein 0.0049 0.0152 0.0197
Schistosoma mansoni inositol monophosphatase 0.0045 0.0104 0.0134
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0046 0.0122 0.0122
Schistosoma mansoni DNA polymerase eta 0.0054 0.0204 0.0264
Schistosoma mansoni hypothetical protein 0.0049 0.0152 0.0197
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0104 0.0124
Schistosoma mansoni patched 1 0.0051 0.0172 0.0222
Brugia malayi Carboxylesterase family protein 0.0046 0.0122 0.0158
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0269 0.0348
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.1665 1
Schistosoma mansoni BC026374 protein (S09 family) 0.0046 0.0122 0.0158
Echinococcus granulosus acetylcholinesterase 0.0274 0.2534 0.3284
Brugia malayi hypothetical protein 0.0046 0.0122 0.0158
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0204 0.0301
Schistosoma mansoni gliotactin 0.0046 0.0122 0.0158
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0131 0.0647
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.0293 0.0459
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.089 0.089
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.143 0.143
Echinococcus multilocularis snurportin 1 0.0372 0.3567 0.3567
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0169 1
Echinococcus multilocularis protein patched 0.0051 0.0172 0.0172
Plasmodium vivax topoisomerase I, putative 0.0764 0.7716 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.091 0.1179
Loa Loa (eye worm) carboxylesterase 0.0046 0.0122 0.0158
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1158 0.1501
Onchocerca volvulus 0.0046 0.0122 0.6788
Echinococcus granulosus snurportin 1 0.0372 0.3567 0.4623
Echinococcus granulosus BC026374 protein S09 family 0.0046 0.0122 0.0158
Brugia malayi chromobox protein homolog 3 0.0047 0.0131 0.0169
Echinococcus multilocularis carboxylesterase 5A 0.0274 0.2534 0.2534
Brugia malayi Carboxylesterase family protein 0.0046 0.0122 0.0158
Loa Loa (eye worm) hypothetical protein 0.0119 0.089 0.1154
Loa Loa (eye worm) hypothetical protein 0.0062 0.0293 0.038
Schistosoma mansoni chromobox protein 0.0084 0.0522 0.0677
Schistosoma mansoni neuroligin 3 (S09 family) 0.0046 0.0122 0.0158
Loa Loa (eye worm) carboxylesterase 0.0046 0.0122 0.0158
Loa Loa (eye worm) hypothetical protein 0.006 0.0269 0.0348
Schistosoma mansoni hypothetical protein 0.0049 0.0152 0.0197
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0046 0.0122 0.0158
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0172 0.0172
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0104 0.0124
Schistosoma mansoni hypothetical protein 0.0205 0.1798 0.233
Leishmania major DNA topoisomerase type IB small subunit 0.0192 0.1663 0.2883
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0174 0.0249
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0269 0.0348
Loa Loa (eye worm) hypothetical protein 0.0046 0.0122 0.0158
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0274 0.2534 0.3284
Mycobacterium ulcerans carboxylesterase, LipT 0.0046 0.0122 0.0116
Loa Loa (eye worm) hypothetical protein 0.0054 0.0204 0.0264
Schistosoma mansoni hypothetical protein 0.0049 0.0152 0.0197
Echinococcus multilocularis neuroligin 0.0046 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.0274 0.2534 0.3284
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0522 1
Toxoplasma gondii hypothetical protein 0.0059 0.0254 0.0329
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.0122 0.042
Brugia malayi Inositol-1 0.0045 0.0104 0.0134
Trichomonas vaginalis spcc417.12 protein, putative 0.0046 0.0122 0.0434
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.0122 0.042
Brugia malayi Heterochromatin protein 1 0.0084 0.0522 0.0677
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0522 1
Echinococcus granulosus chromobox protein 1 0.0084 0.0522 0.0677
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.089 1
Echinococcus granulosus para nitrobenzyl esterase 0.0046 0.0122 0.0158
Loa Loa (eye worm) hypothetical protein 0.0046 0.0122 0.0158
Toxoplasma gondii DNA topoisomerase I, putative 0.0764 0.7716 1
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0104 0.0134
Schistosoma mansoni acetylcholinesterase 0.0046 0.0122 0.0158
Echinococcus multilocularis expressed conserved protein 0.0112 0.0814 0.0814
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0104 0.0104
Plasmodium falciparum topoisomerase I 0.0764 0.7716 1
Trypanosoma cruzi DNA topoisomerase type IB small subunit, putative 0.0192 0.1663 0.2883
Echinococcus multilocularis chromobox protein 1 0.0084 0.0522 0.0522
Loa Loa (eye worm) hypothetical protein 0.0046 0.0122 0.0158
Echinococcus granulosus carboxylesterase 5A 0.0274 0.2534 0.3284
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3493 0.6122
Trypanosoma brucei DNA topoisomerase type IB small subunit 0.0192 0.1663 0.2925
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0522 0.0677
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.143 0.1854
Echinococcus granulosus chromobox protein 1 0.0084 0.0522 0.0677
Loa Loa (eye worm) acetylcholinesterase 1 0.0274 0.2534 0.3284
Loa Loa (eye worm) hypothetical protein 0.0037 0.0023 0.003
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.1459 0.2567
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 0.3493 0.6145
Schistosoma mansoni inositol monophosphatase 0.0045 0.0104 0.0134
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0122 0.0158
Loa Loa (eye worm) hypothetical protein 0.0274 0.2534 0.3284
Schistosoma mansoni DNA topoisomerase type I 0.0572 0.5684 0.7367
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 0.3493 0.6122
Loa Loa (eye worm) hypothetical protein 0.0041 0.0067 0.0087
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0104 0.0182
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0172 0.0222
Leishmania major mitochondrial DNA polymerase beta 0.0365 0.3493 0.6122
Echinococcus granulosus dna polymerase eta 0.0054 0.0204 0.0264
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1158 0.1501
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0046 0.0122 0.0434
Onchocerca volvulus 0.0046 0.0122 0.6788
Echinococcus multilocularis para nitrobenzyl esterase 0.0046 0.0122 0.0122
Brugia malayi MH2 domain containing protein 0.0144 0.1158 0.1501
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0104 0.0134
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0104 0.0124
Echinococcus multilocularis acetylcholinesterase 0.0274 0.2534 0.2534
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.0174 0.0249
Echinococcus multilocularis BC026374 protein (S09 family) 0.0046 0.0122 0.0122
Echinococcus granulosus neuroligin 0.0046 0.0122 0.0158
Leishmania major DNA topoisomerase IB, large subunit 0.0572 0.5684 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0172 0.0222
Schistosoma mansoni hypothetical protein 0.0041 0.0067 0.0087
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.3567 0.4623
Schistosoma mansoni DNA topoisomerase type I 0.0764 0.7716 1
Brugia malayi DNA topoisomerase I 0.0764 0.7716 1
Echinococcus multilocularis DNA topoisomerase 1 0.0764 0.7716 0.7716
Echinococcus multilocularis chromobox protein 1 0.0084 0.0522 0.0522
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0054 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0122 0.0158
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0104 0.5
Loa Loa (eye worm) inositol-1 0.0045 0.0104 0.0134
Echinococcus granulosus expressed conserved protein 0.0112 0.0814 0.1055
Echinococcus multilocularis acetylcholinesterase 0.0274 0.2534 0.2534
Leishmania major DNA polymerase eta, putative 0.0054 0.0204 0.0301
Loa Loa (eye worm) DNA topoisomerase I 0.0764 0.7716 1
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0172 0.1623
Schistosoma mansoni hypothetical protein 0.0205 0.1798 0.233
Echinococcus granulosus acetylcholinesterase 0.0274 0.2534 0.3284
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1459 0.2522
Echinococcus granulosus DNA topoisomerase 1 0.0764 0.7716 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.1459 0.2522
Echinococcus multilocularis geminin 0.0205 0.1798 0.1798
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0169 0.1553
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0169 0.1553
Schistosoma mansoni chromobox protein 0.0084 0.0522 0.0677

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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