Detailed information for compound 1343203

Basic information

Technical information
  • TDR Targets ID: 1343203
  • Name: 1-(4-chlorobenzoyl)-N-(2-dimethylamino-2-fura n-2-ylethyl)piperidine-3-carboxamide
  • MW: 403.902 | Formula: C21H26ClN3O3
  • H donors: 1 H acceptors: 2 LogP: 2.45 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(c1ccco1)CNC(=O)C1CCCN(C1)C(=O)c1ccc(cc1)Cl)C
  • InChi: 1S/C21H26ClN3O3/c1-24(2)18(19-6-4-12-28-19)13-23-20(26)16-5-3-11-25(14-16)21(27)15-7-9-17(22)10-8-15/h4,6-10,12,16,18H,3,5,11,13-14H2,1-2H3,(H,23,26)
  • InChiKey: JMMDTGNTPCFMCW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(4-chlorobenzoyl)-N-[2-dimethylamino-2-(2-furyl)ethyl]piperidine-3-carboxamide
  • 1-[(4-chlorophenyl)-oxomethyl]-N-[2-dimethylamino-2-(2-furyl)ethyl]-3-piperidinecarboxamide
  • 1-(4-chlorobenzoyl)-N-[2-dimethylamino-2-(2-furyl)ethyl]nipecotamide
  • 1-(4-chlorophenyl)carbonyl-N-(2-dimethylamino-2-furan-2-yl-ethyl)piperidine-3-carboxamide
  • SMR000067981
  • T5332234
  • MLS000058529

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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 apurinic/apyrimidinic endonuclease, putative 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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 ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Schistosoma mansoni ap endonuclease 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Leishmania infantum 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Trichomonas vaginalis ap endonuclease, 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
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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0283 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0594 0.0594
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0694 0.0953
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0059 0.1162 0.3288
Loa Loa (eye worm) excitatory amino acid transporter 0.0133 0.3535 0.3535
Schistosoma mansoni chromobox protein 0.0074 0.1629 0.4608
Onchocerca volvulus 0.025 0.7283 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0208 0.0286
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0694 0.0553
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0283 0.0799
Echinococcus granulosus excitatory amino acid transporter 2 0.0133 0.3535 1
Echinococcus multilocularis chromobox protein 1 0.0074 0.1629 0.4608
Echinococcus multilocularis excitatory amino acid transporter 2 0.0133 0.3535 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0044 0.0668 0.189
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0059 0.1162 0.3288
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0133 0.3535 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0 0.5
Treponema pallidum glutamate transporter 0.0059 0.1162 1
Echinococcus multilocularis excitatory amino acid transporter 3 0.0133 0.3535 1
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0208 0.0286
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0133 0.3535 0.4627
Echinococcus multilocularis Excitatory amino acid transporter 0.0133 0.3535 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.0133 0.3535 1
Echinococcus multilocularis neutral amino acid transporter A 0.0133 0.3535 1
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0694 0.0953
Echinococcus granulosus neutral amino acid transporter 0.0133 0.3535 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0283 0.0799
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0133 0.3535 1
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0133 0.3535 1
Echinococcus granulosus excitatory amino acid transporter 2 0.0133 0.3535 1
Onchocerca volvulus 0.0044 0.0668 0.0516
Loa Loa (eye worm) hypothetical protein 0.0032 0.0308 0.0308
Echinococcus granulosus sodium:dicarboxylate symporter 0.0133 0.3535 1
Brugia malayi Heterochromatin protein 1 0.0074 0.1629 0.2581
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0283 0.0799
Schistosoma mansoni chromobox protein 0.0074 0.1629 0.4608
Echinococcus multilocularis neutral amino acid transporter A 0.0133 0.3535 1
Echinococcus multilocularis chromobox protein 1 0.0074 0.1629 0.4608
Echinococcus granulosus chromobox protein 1 0.0074 0.1629 0.4608
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.1629 0.1629
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0059 0.1162 0.3288
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1629 0.2237
Chlamydia trachomatis glutamate symporter 0.0133 0.3535 1
Echinococcus granulosus Excitatory amino acid transporter 0.0133 0.3535 1
Brugia malayi chromobox protein homolog 3 0.0041 0.0594 0.0941
Echinococcus granulosus neutral amino acid transporter A 0.0133 0.3535 1
Brugia malayi hypothetical protein 0.0129 0.3389 0.5371
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0594 0.0815
Echinococcus granulosus excitatory amino acid transporter 3 0.0133 0.3535 1
Brugia malayi Excitatory amino acid transporter 0.0133 0.3535 0.5602
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0 0.5
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0133 0.3535 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Plasmodium vivax SET domain protein, putative 0.0032 0.0283 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0059 0.1162 0.3288
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1629 0.2237
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0594 0.0815
Trichomonas vaginalis set domain proteins, putative 0.025 0.7283 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0283 0.0283
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0245 0.0694
Echinococcus multilocularis neutral amino acid transporter A 0.0133 0.3535 1
Brugia malayi Pre-SET motif family protein 0.0032 0.0283 0.0448
Echinococcus granulosus chromobox protein 1 0.0074 0.1629 0.4608
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0283 0.0799
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0133 0.3535 1
Echinococcus granulosus Excitatory amino acid transporter 0.0133 0.3535 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0283 0.0799
Treponema pallidum glutamate/aspartate transporter 0.0059 0.1162 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0594 0.0409
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.022 0.631 0.631
Echinococcus multilocularis Excitatory amino acid transporter 0.0133 0.3535 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0283 0.0799
Brugia malayi Pre-SET motif family protein 0.022 0.631 1
Echinococcus granulosus neutral amino acid transporter A 0.0133 0.3535 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.005 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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 Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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