Detailed information for compound 1447258

Basic information

Technical information
  • TDR Targets ID: 1447258
  • Name: N'-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N- phenylpiperidine-1,4-dicarboxamide
  • MW: 460.547 | Formula: C22H28N4O5S
  • H donors: 2 H acceptors: 4 LogP: 1.56 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1S(=O)(=O)N(C)C)NC(=O)C1CCN(CC1)C(=O)Nc1ccccc1
  • InChi: 1S/C22H28N4O5S/c1-25(2)32(29,30)20-15-18(9-10-19(20)31-3)23-21(27)16-11-13-26(14-12-16)22(28)24-17-7-5-4-6-8-17/h4-10,15-16H,11-14H2,1-3H3,(H,23,27)(H,24,28)
  • InChiKey: BEOVRLHNBGRBBP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]-N-phenyl-piperidine-1,4-dicarboxamide
  • T5570360

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adrenoceptor beta 2, surface Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
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
Trichomonas vaginalis ap endonuclease, putative 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 mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Cryptosporidium parvum conserved hypothetical protein 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Toxoplasma gondii exonuclease III APE 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 DNA (apurinic or apyrimidinic site) lyase 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans aminopeptidase N PepN 0.0051 0.0404 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0012 0 0.5
Echinococcus granulosus aminopeptidase N 0.0051 0.0404 0.0411
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0361 0.0361
Loa Loa (eye worm) hypothetical protein 0.0093 0.0839 0.0853
Echinococcus multilocularis fatty acid amide hydrolase 1 0.01 0.0912 0.0912
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.011 0.2713
Trypanosoma cruzi aminopeptidase, putative 0.0051 0.0404 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.011 0.2713
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0051 0.0404 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0051 0.0404 0.0404
Brugia malayi Peptidase family M1 containing protein 0.0051 0.0404 0.0907
Brugia malayi Peptidase family M1 containing protein 0.0051 0.0404 0.0907
Trypanosoma cruzi aminopeptidase, putative 0.0051 0.0404 1
Echinococcus granulosus leukotriene A 4 hydrolase 0.0964 0.9839 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0912 0.0927
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0051 0.0404 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0051 0.0404 0.0404
Onchocerca volvulus Phospholipase A2 homolog 0.0093 0.0839 1
Loa Loa (eye worm) hypothetical protein 0.0515 0.5196 0.5281
Mycobacterium ulcerans aminopeptidase N PepN 0.0051 0.0404 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0051 0.0404 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.01 0.0912 0.0912
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0051 0.0404 0.0411
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0051 0.0404 0.0411
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0361 0.0367
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0051 0.0404 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0361 0.0361
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0361 0.0367
Brugia malayi TATA binding protein associated factor 0.0051 0.0404 0.0907
Trypanosoma brucei Aminopeptidase M1, putative 0.0051 0.0404 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0051 0.0404 0.0411
Loa Loa (eye worm) aminopeptidase N 0.0051 0.0404 0.0411
Loa Loa (eye worm) hypothetical protein 0.0051 0.0404 0.0411
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.011 0.0246
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0051 0.0404 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.011 0.2713
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.011 0.5
Brugia malayi Phospholipase A2 family protein 0.0093 0.0839 0.1884
Loa Loa (eye worm) hypothetical protein 0.0093 0.0839 0.0853
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0051 0.0404 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0361 0.0367
Schistosoma mansoni ap endonuclease 0.0023 0.011 0.0111
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0051 0.0404 0.0411
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0051 0.0404 1
Toxoplasma gondii aminopeptidase n, putative 0.0051 0.0404 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0051 0.0404 0.0411
Echinococcus granulosus fatty acid amide hydrolase 1 0.01 0.0912 0.0927
Entamoeba histolytica aminopeptidase, putative 0.0051 0.0404 1
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0012 0 0.5
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0051 0.0404 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.01 0.0912 0.0927
Schistosoma mansoni fatty-acid amide hydrolase 0.01 0.0912 0.0927
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0964 0.9839 1
Brugia malayi Peptidase family M1 containing protein 0.0051 0.0404 0.0907
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0051 0.0404 0.0411
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0051 0.0404 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0051 0.0404 1
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0051 0.0404 1
Brugia malayi hypothetical protein 0.0443 0.4456 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0361 0.0367
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.011 1
Toxoplasma gondii aminopeptidase N, putative 0.0051 0.0404 1
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0051 0.0404 1
Loa Loa (eye worm) TATA binding protein associated factor 0.0051 0.0404 0.0411
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0012 0 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0051 0.0404 0.0404
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.011 0.0111
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.011 0.2713
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0361 0.0811
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0964 0.9839 1
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0051 0.0404 1
Echinococcus multilocularis aminopeptidase N 0.0051 0.0404 0.0404
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0051 0.0404 1
Onchocerca volvulus Phospholipase A2 homolog 0.0093 0.0839 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0051 0.0404 0.0411
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0051 0.0404 0.0404
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.011 0.2713
Brugia malayi hypothetical protein 0.0051 0.0404 0.0907
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0051 0.0404 0.0411
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.011 0.2713
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0361 0.0367
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0051 0.0404 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0051 0.0404 0.0411
Schistosoma mansoni ap endonuclease 0.0023 0.011 0.0111
Brugia malayi amidase 0.01 0.0912 0.2048
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0051 0.0404 0.0404
Trypanosoma cruzi Aminopeptidase M1, putative 0.0051 0.0404 1
Toxoplasma gondii aminopeptidase N protein 0.0051 0.0404 1
Trypanosoma brucei Aminopeptidase M1, putative 0.0051 0.0404 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0051 0.0404 0.0411
Brugia malayi hypothetical protein 0.0051 0.0404 0.0907
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0051 0.0404 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.011 0.2713
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.011 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0361 0.0367
Trypanosoma brucei aminopeptidase, putative 0.0051 0.0404 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0404 0.0411
Schistosoma mansoni aminopeptidase A (M01 family) 0.0051 0.0404 0.0411
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0051 0.0404 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.011 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.011 0.0111
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0051 0.0404 0.0404
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.011 0.011
Schistosoma mansoni amidase 0.01 0.0912 0.0927
Loa Loa (eye worm) hypothetical protein 0.0051 0.0404 0.0411
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0964 0.9839 0.9839

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0947 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.6513 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] ChEMBL. No reference
Potency (functional) 5.8024 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) 14.7157 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) 18.526 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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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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