Detailed information for compound 1537046

Basic information

Technical information
  • TDR Targets ID: 1537046
  • Name: N-(3-morpholin-4-ylpropyl)-1-piperidin-1-ylsu lfonylpiperidine-3-carboxamide
  • MW: 402.552 | Formula: C18H34N4O4S
  • H donors: 1 H acceptors: 3 LogP: 0.06 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCN(C1)S(=O)(=O)N1CCCCC1)NCCCN1CCOCC1
  • InChi: 1S/C18H34N4O4S/c23-18(19-7-5-8-20-12-14-26-15-13-20)17-6-4-11-22(16-17)27(24,25)21-9-2-1-3-10-21/h17H,1-16H2,(H,19,23)
  • InChiKey: XPJJXBAVXOEACB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-morpholinopropyl)-1-(1-piperidylsulfonyl)piperidine-3-carboxamide
  • N-(3-morpholinopropyl)-1-(1-piperidylsulfonyl)-3-piperidinecarboxamide
  • N-(3-morpholinopropyl)-1-piperidinosulfonyl-nipecotamide
  • N-(3-morpholin-4-ylpropyl)-1-piperidin-1-ylsulfonyl-piperidine-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
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 granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0075 0.1524 0.1865
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0075 0.1524 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0075 0.1524 0.1865
Echinococcus multilocularis thyroid hormone receptor alpha 0.0075 0.1524 0.1524
Loa Loa (eye worm) hypothetical protein 0.0075 0.1524 0.1865
Loa Loa (eye worm) hypothetical protein 0.004 0.0163 0.02
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0075 0.1524 0.1865
Loa Loa (eye worm) hypothetical protein 0.004 0.0163 0.02
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0075 0.1524 0.1524
Loa Loa (eye worm) hypothetical protein 0.0248 0.8172 1
Brugia malayi nuclear receptor NHR-88 0.0075 0.1524 0.1865
Loa Loa (eye worm) hypothetical protein 0.0075 0.1524 0.1865
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.004 0.0163 0.02
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0075 0.1524 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0075 0.1524 0.1865
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0075 0.1524 0.1865
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0761 0.4991
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.0163 0.02
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0075 0.1524 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0075 0.1524 0.1524
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0075 0.1524 1
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.0163 0.02
Echinococcus multilocularis ecdysone induced protein 78C 0.0296 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0075 0.1524 0.1865
Schistosoma mansoni nuclear hormone receptor 0.0075 0.1524 1
Brugia malayi Nuclear hormone receptor-like 1 0.0075 0.1524 0.1865
Echinococcus granulosus FTZ F1 alpha 0.0075 0.1524 0.1524
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0761 0.4991
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0075 0.1524 0.1865
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0075 0.1524 0.1865
Loa Loa (eye worm) hypothetical protein 0.0075 0.1524 0.1865
Loa Loa (eye worm) hypothetical protein 0.004 0.0163 0.02
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0075 0.1524 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.1524 0.1865
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0075 0.1524 0.1524
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0075 0.1524 0.1524
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0761 0.0931
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0075 0.1524 0.1524
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0761 0.0931
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0075 0.1524 0.1524
Loa Loa (eye worm) hypothetical protein 0.004 0.0163 0.02
Brugia malayi nuclear receptor RXR 0.004 0.0163 0.02
Schistosoma mansoni RAR-like nuclear receptor 0.0075 0.1524 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0075 0.1524 0.1865
Schistosoma mansoni coup transcription factor 0.0075 0.1524 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.026 0.8639 0.8639
Schistosoma mansoni steroid hormone receptor ad4bp 0.0075 0.1524 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0075 0.1524 0.1524
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0075 0.1524 0.1865
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0075 0.1524 0.1865
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0075 0.1524 0.1865
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0761 0.0761
Onchocerca volvulus Bile acid receptor homolog 0.0248 0.8172 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 0.0163 0.1071
Brugia malayi hypothetical protein 0.004 0.0163 0.02
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0075 0.1524 0.1865
Brugia malayi steroid hormone receptor 0.0075 0.1524 0.1865
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0075 0.1524 0.1865
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0075 0.1524 0.1865
Echinococcus multilocularis FTZ F1 alpha 0.0075 0.1524 0.1524
Schistosoma mansoni thyroid hormone receptor 0.0075 0.1524 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0761 0.4991
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0075 0.1524 0.1524
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0075 0.1524 0.1865
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0075 0.1524 0.1865
Loa Loa (eye worm) hypothetical protein 0.004 0.0163 0.02
Schistosoma mansoni thyroid hormone receptor 0.0075 0.1524 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.1524 0.1865
Loa Loa (eye worm) hypothetical protein 0.0075 0.1524 0.1865
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.026 0.8639 0.8639
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0761 0.0761
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0075 0.1524 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0075 0.1524 0.1865
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0075 0.1524 0.1865
Brugia malayi hypothetical protein 0.004 0.0163 0.02
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0075 0.1524 0.1524
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0075 0.1524 0.1524
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0075 0.1524 0.1865
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.004 0.0163 0.1071
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0761 0.0761
Schistosoma mansoni retinoic acid receptor RXR 0.0075 0.1524 1
Brugia malayi nuclear hormone receptor 0.0075 0.1524 0.1865
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0075 0.1524 0.1865
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0075 0.1524 0.1524
Brugia malayi Steroid receptor seven-up type 2 0.0075 0.1524 0.1865
Onchocerca volvulus Protein ultraspiracle homolog 0.0075 0.1524 0.1865
Loa Loa (eye worm) steroid hormone receptor 0.0075 0.1524 0.1865
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0075 0.1524 0.1524
Loa Loa (eye worm) hypothetical protein 0.0075 0.1524 0.1865
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0075 0.1524 0.1524
Brugia malayi ecdysteroid receptor 0.0248 0.8172 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0075 0.1524 0.1865
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0761 0.0761
Onchocerca volvulus 0.0075 0.1524 0.1865

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1683 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.8913 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
Potency (functional) 8.2753 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.
 
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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