Detailed information for compound 1531957

Basic information

Technical information
  • TDR Targets ID: 1531957
  • Name: N-(4-ethoxyphenyl)-4-(3-methylpiperidine-1-ca rbonyl)benzenesulfonamide
  • MW: 402.507 | Formula: C21H26N2O4S
  • H donors: 1 H acceptors: 3 LogP: 3.52 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(=O)N1CCCC(C1)C
  • InChi: 1S/C21H26N2O4S/c1-3-27-19-10-8-18(9-11-19)22-28(25,26)20-12-6-17(7-13-20)21(24)23-14-4-5-16(2)15-23/h6-13,16,22H,3-5,14-15H2,1-2H3
  • InChiKey: DVZLRSRQJCWUDR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-ethoxyphenyl)-4-[(3-methyl-1-piperidinyl)-oxomethyl]benzenesulfonamide
  • N-(4-ethoxyphenyl)-4-(3-methylpiperidin-1-yl)carbonyl-benzenesulfonamide

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 nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens corticotropin releasing hormone binding protein No references
Homo sapiens corticotropin releasing hormone receptor 2 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
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 corticotropin releasing hormone receptor 2 438 aa 383 aa 26.1 %
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
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0361 0.4516 0.4073
Schistosoma mansoni hypothetical protein 0.0128 0.0747 0.1655
Schistosoma mansoni hypothetical protein 0.0361 0.4516 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0223 0.2284 0.1661
Echinococcus granulosus SWI:SNF matrix associated 0.0361 0.4516 0.4073
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0306 0.3618 0.801
Onchocerca volvulus 0.0128 0.0747 0.1007
Trypanosoma cruzi hypothetical protein, conserved 0.0128 0.0747 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.0617 0.1367
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0128 0.0747 0.5
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0361 0.4516 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0361 0.4516 1
Brugia malayi YY1-associated factor 2 0.0128 0.0747 0.1655
Schistosoma mansoni TRABID protein (C64 family) 0.0128 0.0747 0.1655
Trypanosoma cruzi hypothetical protein, conserved 0.0128 0.0747 0.5
Loa Loa (eye worm) hypothetical protein 0.0128 0.0747 0.1655
Schistosoma mansoni hypothetical protein 0.0361 0.4516 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0361 0.4516 0.4073
Schistosoma mansoni hypothetical protein 0.0361 0.4516 1
Onchocerca volvulus 0.0128 0.0747 0.1007
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0128 0.0747 0.1655
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0128 0.0747 0.1655
Loa Loa (eye worm) hypothetical protein 0.0102 0.0325 0.072
Schistosoma mansoni fusion 0.0128 0.0747 0.1655
Schistosoma mansoni brg-1 associated factor 0.0361 0.4516 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.0747 0.1655
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0128 0.0747 0.1655
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0361 0.4516 1
Leishmania major hypothetical protein, conserved 0.0128 0.0747 0.5
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0361 0.4516 0.4073
Trypanosoma cruzi WLM domain containing protein, putative 0.0128 0.0747 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0223 0.2284 0.1661
Trypanosoma cruzi hypothetical protein, conserved 0.0128 0.0747 0.5
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0361 0.4516 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0361 0.4516 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0128 0.0747 0.5
Brugia malayi SWIB/MDM2 domain containing protein 0.0361 0.4516 1
Schistosoma mansoni RNA binding protein 0.0128 0.0747 0.1655
Brugia malayi brahma associated protein 60 kDa 0.0361 0.4516 1
Onchocerca volvulus 0.0361 0.4516 1
Loa Loa (eye worm) brahma associated protein 0.0361 0.4516 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0128 0.0747 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0128 0.0747 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0128 0.0747 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0128 0.0747 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0128 0.0747 0.5
Loa Loa (eye worm) hypothetical protein 0.0128 0.0747 0.1655
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0128 0.0747 0.1007
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0128 0.0747 0.5
Leishmania major hypothetical protein, conserved 0.0128 0.0747 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0128 0.0747 0.1655
Loa Loa (eye worm) hypothetical protein 0.0128 0.0747 0.1655
Schistosoma mansoni cellular tumor antigen P53 0.0102 0.0325 0.072
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0128 0.0747 0.5
Loa Loa (eye worm) hypothetical protein 0.0128 0.0747 0.1655
Onchocerca volvulus 0.0128 0.0747 0.1007
Echinococcus multilocularis SWI:SNF matrix associated 0.0361 0.4516 0.4073
Loa Loa (eye worm) hypothetical protein 0.0306 0.3618 0.801
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0361 0.4516 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.0617 0.1367
Plasmodium vivax hypothetical protein, conserved 0.0361 0.4516 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0361 0.4516 0.4073
Leishmania major hypothetical protein, conserved 0.0128 0.0747 0.5
Onchocerca volvulus 0.0128 0.0747 0.1007
Chlamydia trachomatis SWIB complex protein 0.0361 0.4516 0.5
Brugia malayi brahma associated protein 60 kDa 0.0361 0.4516 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0128 0.0747 0.5
Chlamydia trachomatis DNA topoisomerase I 0.0361 0.4516 0.5
Echinococcus multilocularis tumor protein p63 0.07 1 1
Leishmania major hypothetical protein, conserved 0.0128 0.0747 0.5
Schistosoma mansoni zinc finger protein 0.0128 0.0747 0.1655
Trichomonas vaginalis conserved hypothetical protein 0.0361 0.4516 0.5
Leishmania major hypothetical protein, conserved 0.0128 0.0747 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 11.1 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3078 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 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) 18.526 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) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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