Detailed information for compound 1495153

Basic information

Technical information
  • TDR Targets ID: 1495153
  • Name: N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)- 2-(4-propanoylphenoxy)acetamide
  • MW: 460.543 | Formula: C23H28N2O6S
  • H donors: 1 H acceptors: 4 LogP: 2.92 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)COc1ccc(cc1)C(=O)CC)S(=O)(=O)N1CCCCC1
  • InChi: 1S/C23H28N2O6S/c1-3-21(26)17-7-9-18(10-8-17)31-16-23(27)24-20-15-19(11-12-22(20)30-2)32(28,29)25-13-5-4-6-14-25/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,24,27)
  • InChiKey: HSHOTLFQFMKNCD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-2-(4-propanoylphenoxy)acetamide
  • N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-2-[4-(1-oxopropyl)phenoxy]acetamide
  • N-(2-methoxy-5-piperidinosulfonyl-phenyl)-2-(4-propionylphenoxy)acetamide
  • N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-propanoylphenoxy)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide 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) GTP-binding regulatory protein Gs alpha-S chain 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) 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
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
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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 guanine nucleotide binding protein Gs subunit 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 %
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1598 0.2473
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0035 0.0055
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.7921 1
Schistosoma mansoni hypothetical protein 0.0019 0.0035 0.0055
Echinococcus granulosus GPCR family 2 0.0019 0.0035 0.0055
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0022 0.0174 0.0174
Schistosoma mansoni hypothetical protein 0.0019 0.0035 0.0055
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0022 0.0174 0.0191
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.099 0.099
Loa Loa (eye worm) hypothetical protein 0.0041 0.099 0.1249
Mycobacterium tuberculosis Probable aminotransferase 0.0022 0.0174 0.0174
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0022 0.0174 0.0174
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0416 0.0644
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1812 0.2287
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1598 0.2473
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0035 0.0035
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0462 0.0715
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0022 0.0174 0.0174
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0462 0.0715
Loa Loa (eye worm) hypothetical protein 0.0019 0.0035 0.0045
Brugia malayi Pre-SET motif family protein 0.0029 0.0462 0.0462
Schistosoma mansoni hypothetical protein 0.0019 0.0035 0.0055
Echinococcus granulosus Aminotransferase class III 0.0022 0.0174 0.027
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0022 0.0174 0.027
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0174 0.027
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0174 0.027
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1598 0.2473
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0035 0.0035
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1812 0.1812
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0022 0.0174 0.5
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0022 0.0174 0.0174
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0022 0.0174 0.5
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0022 0.0174 0.3776
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0035 0.0055
Trichomonas vaginalis set domain proteins, putative 0.023 0.9124 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0022 0.0174 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0035 0.0055
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0022 0.0174 0.0174
Brugia malayi Pre-SET motif family protein 0.0202 0.7921 0.7921
Loa Loa (eye worm) hypothetical protein 0.0029 0.0462 0.0583
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1598 0.2473
Schistosoma mansoni hypothetical protein 0.0019 0.0035 0.0055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1598 0.2473
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0462 0.0715
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0022 0.0174 0.0174
Schistosoma mansoni hypothetical protein 0.0168 0.6461 1
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.025 1 1
Plasmodium falciparum ornithine aminotransferase 0.0022 0.0174 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0035 0.0055
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0022 0.0174 1
Mycobacterium ulcerans hypothetical protein 0.0022 0.0174 0.0174
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1598 0.2473
Echinococcus multilocularis geminin 0.0168 0.6461 1
Echinococcus granulosus geminin 0.0168 0.6461 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5
Onchocerca volvulus 0.023 0.9124 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0035 0.0045
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0022 0.0174 0.0174
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0462 0.0715
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0022 0.0174 0.0174
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0022 0.0174 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0462 0.0715
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1598 0.2473
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0035 0.0055
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0 0.5
Echinococcus granulosus ornithine aminotransferase 0.0022 0.0174 0.027
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1598 0.1598
Schistosoma mansoni hypothetical protein 0.0041 0.099 0.1532
Plasmodium vivax SET domain protein, putative 0.0029 0.0462 1
Echinococcus multilocularis Aminotransferase class III 0.0022 0.0174 0.027
Loa Loa (eye worm) hypothetical protein 0.006 0.1812 0.2287
Schistosoma mansoni hypothetical protein 0.0168 0.6461 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1598 0.2017
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0022 0.0174 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0462 0.0715
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0462 0.0715
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1812 0.1812
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0 0.5
Mycobacterium ulcerans acetylornithine aminotransferase 0.0022 0.0174 0.0174
Plasmodium vivax ornithine aminotransferase, putative 0.0022 0.0174 0.3776
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0462 1
Mycobacterium ulcerans L-lysine aminotransferase 0.025 1 1
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0022 0.0174 0.0174

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.6964 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 for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.