Detailed information for compound 1454030

Basic information

Technical information
  • TDR Targets ID: 1454030
  • Name: N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentan amine
  • MW: 265.348 | Formula: C15H23NO3
  • H donors: 1 H acceptors: 0 LogP: 2.47 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(CNC2CCCC2)ccc(c1OC)OC
  • InChi: 1S/C15H23NO3/c1-17-13-9-8-11(14(18-2)15(13)19-3)10-16-12-6-4-5-7-12/h8-9,12,16H,4-7,10H2,1-3H3
  • InChiKey: WQFRXDPSYHVMLY-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • cyclopentyl-(2,3,4-trimethoxybenzyl)amine
  • MLS000529118
  • SMR000121593
  • BAS 05541918
  • Oprea1_821514
  • ST064894
  • Cyclopentyl-(2,3,4-trimethoxy-benzyl)-amine
  • Oprea1_604618

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
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Brugia malayi exodeoxyribonuclease III family protein 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
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
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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Trypanosoma cruzi apurinic/apyrimidinic 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Entamoeba histolytica exodeoxyribonuclease III, 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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 yoelii putative AP endonuclease-related 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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 brucei gambiense apurinic/apyrimidinic 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
Schistosoma mansoni ap 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Plasmodium vivax 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Brugia malayi Animal haem peroxidase family protein 0.0456 0.3374 0.3076
Echinococcus multilocularis conserved hypothetical protein 0.0687 0.5847 0.5847
Echinococcus granulosus serotonin transporter 0.1074 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0456 0.3374 0.3374
Schistosoma mansoni sodium/chloride dependent transporter 0.1074 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0182 0.0431 0.0431
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0182 0.0431 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1456 0.5
Loa Loa (eye worm) hypothetical protein 0.0456 0.3374 0.3374
Echinococcus multilocularis sodium and chloride dependent glycine 0.0182 0.0431 0.0431
Loa Loa (eye worm) solute carrier family 6 member 4 0.1074 1 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0182 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0456 0.3374 0.3374
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0182 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0456 0.3374 0.3374
Loa Loa (eye worm) hypothetical protein 0.0182 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0456 0.3374 0.3374
Brugia malayi Peroxidasin 0.0456 0.3374 0.3076
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0182 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0456 0.3374 0.3374
Brugia malayi Animal haem peroxidase family protein 0.0456 0.3374 0.3076
Echinococcus granulosus peroxidasin 0.0456 0.3374 0.3374
Loa Loa (eye worm) animal heme peroxidase 0.0456 0.3374 0.3374
Treponema pallidum sodium- and chloride- dependent transporter 0.1074 1 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0182 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0456 0.3374 0.3374
Loa Loa (eye worm) hypothetical protein 0.0182 0.0431 0.0431
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0182 0.0431 0.0431
Echinococcus multilocularis peroxidasin 0.0456 0.3374 0.3374
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0182 0.0431 0.0431
Onchocerca volvulus 0.0456 0.3374 0.3076
Loa Loa (eye worm) hypothetical protein 0.0182 0.0431 0.0431
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0182 0.0431 0.0431
Onchocerca volvulus Peroxidasin homolog 0.0456 0.3374 0.3076
Loa Loa (eye worm) hypothetical protein 0.0456 0.3374 0.3374
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0182 0.0431 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0182 0.0431 0.0431
Loa Loa (eye worm) animal heme peroxidase 0.0456 0.3374 0.3374
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0182 0.0431 0.0431
Loa Loa (eye worm) animal heme peroxidase 0.0456 0.3374 0.3374
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0182 0.0431 0.5
Onchocerca volvulus 0.0456 0.3374 0.3076
Loa Loa (eye worm) hypothetical protein 0.1074 1 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.3374 0.3374
Echinococcus granulosus hypothetical protein 0.0708 0.6071 0.6071
Loa Loa (eye worm) hypothetical protein 0.0182 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0315 0.1859 0.1859
Plasmodium vivax hypothetical protein, conserved 0.0182 0.0431 0.5
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0182 0.0431 0.0431
Loa Loa (eye worm) serotonin transporter b 0.1074 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0182 0.0431 0.0431
Toxoplasma gondii hypothetical protein 0.0182 0.0431 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0182 0.0431 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0182 0.0431 0.0431
Brugia malayi Animal haem peroxidase family protein 0.0456 0.3374 0.3076
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0315 0.1859 0.1492
Onchocerca volvulus Peroxidase homolog 0.0456 0.3374 0.3076
Loa Loa (eye worm) blistered cuticle protein 3 0.0456 0.3374 0.3374
Plasmodium falciparum transporter, putative 0.0182 0.0431 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0182 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0182 0.0431 0.0431
Onchocerca volvulus Peroxidasin homolog 0.0456 0.3374 0.3076
Schistosoma mansoni peroxidasin 0.0456 0.3374 0.3374
Loa Loa (eye worm) hypothetical protein 0.1074 1 1
Brugia malayi Animal haem peroxidase family protein 0.0456 0.3374 0.3076
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0182 0.0431 0.0431
Echinococcus multilocularis sodium and chloride dependent glycine 0.0182 0.0431 0.0431
Plasmodium falciparum amino acid transporter, putative 0.0182 0.0431 0.5
Loa Loa (eye worm) hypothetical protein 0.1074 1 1
Onchocerca volvulus 0.1074 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.0456 0.3374 0.3076
Brugia malayi hypothetical protein 0.0456 0.3374 0.3076
Brugia malayi Blistered cuticle protein 3 0.0456 0.3374 0.3076
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0182 0.0431 0.0431
Loa Loa (eye worm) norepinephrine transporter 0.1074 1 1
Onchocerca volvulus 0.0456 0.3374 0.3076
Echinococcus granulosus sodium and chloride dependent glycine 0.0182 0.0431 0.0431
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0315 0.1859 0.1859
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0182 0.0431 0.0431
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0182 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0456 0.3374 0.3374
Schistosoma mansoni peroxidasin 0.0456 0.3374 0.3374
Schistosoma mansoni sodium-dependent amino acid transporter 0.0182 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0456 0.3374 0.3374
Echinococcus multilocularis serotonin transporter 0.1074 1 1
Toxoplasma gondii hypothetical protein 0.0182 0.0431 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1074 1 1
Loa Loa (eye worm) hypothetical protein 0.0456 0.3374 0.3374
Loa Loa (eye worm) hypothetical protein 0.0456 0.3374 0.3374
Onchocerca volvulus Dual oxidase homolog 0.0456 0.3374 0.3076
Brugia malayi Animal haem peroxidase family protein 0.0456 0.3374 0.3076
Loa Loa (eye worm) hypothetical protein 0.0456 0.3374 0.3374
Loa Loa (eye worm) hypothetical protein 0.0315 0.1859 0.1859
Loa Loa (eye worm) hypothetical protein 0.0456 0.3374 0.3374
Schistosoma mansoni sodium/chloride dependent transporter 0.0182 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0182 0.0431 0.0431
Plasmodium vivax amine transporter, putative 0.0182 0.0431 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0182 0.0431 0.0431
Loa Loa (eye worm) hypothetical protein 0.0182 0.0431 0.0431
Onchocerca volvulus Peroxidase homolog 0.0456 0.3374 0.3076

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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