Detailed information for compound 1353508

Basic information

Technical information
  • TDR Targets ID: 1353508
  • Name: N-cyclopropyl-2-[[2-(2-methoxyphenoxy)acetyl] amino]benzamide
  • MW: 340.373 | Formula: C19H20N2O4
  • H donors: 2 H acceptors: 2 LogP: 3.15 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1OCC(=O)Nc1ccccc1C(=O)NC1CC1
  • InChi: 1S/C19H20N2O4/c1-24-16-8-4-5-9-17(16)25-12-18(22)21-15-7-3-2-6-14(15)19(23)20-13-10-11-13/h2-9,13H,10-12H2,1H3,(H,20,23)(H,21,22)
  • InChiKey: MTHJMEZUGISFJI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-cyclopropyl-2-[[2-(2-methoxyphenoxy)-1-oxoethyl]amino]benzamide
  • N-cyclopropyl-2-[2-(2-methoxyphenoxy)ethanoylamino]benzamide
  • T5583427
  • ZINC06335553

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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Plasmodium yoelii putative AP endonuclease-related 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
Trypanosoma congolense 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 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
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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
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
Trichomonas vaginalis ap endonuclease, 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
Plasmodium knowlesi 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
Trichomonas vaginalis ap endonuclease, putative 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Schistosoma mansoni ap endonuclease 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
Schistosoma mansoni ap endonuclease 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Chlamydia trachomatis malate dehydrogenase 0.0054 0.1881 0.5
Echinococcus multilocularis malate dehydrogenase 0.0054 0.1881 0.3423
Plasmodium falciparum lactate dehydrogenase, putative 0.0054 0.1881 0.3198
Echinococcus multilocularis L lactate dehydrogenase 0.0085 0.3197 0.5817
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.014 0.5495 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0014 0.0182 0.0331
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0054 0.1881 0.1415
Loa Loa (eye worm) RNA binding protein 0.0069 0.2489 0.2489
Brugia malayi isocitrate dehydrogenase 0.0014 0.0182 0.0182
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0054 0.1881 0.1881
Trichomonas vaginalis malate dehydrogenase, putative 0.0026 0.0702 0.0169
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0054 0.1881 1
Schistosoma mansoni ap endonuclease 0.0023 0.0543 0.0543
Echinococcus multilocularis lactate dehydrogenase a 0.014 0.5495 1
Loa Loa (eye worm) malate dehydrogenase 0.0054 0.1881 0.1881
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0543 0.0679
Leishmania major cytosolic malate dehydrogenase 0.0054 0.1881 0.3198
Leishmania major malate dehydrogenase, putative 0.0054 0.1881 0.3198
Schistosoma mansoni malate dehydrogenase 0.0054 0.1881 0.1881
Trichomonas vaginalis glutaminase, putative 0.0246 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0543 0.0679
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0054 0.1881 0.1881
Trypanosoma cruzi malate dehydrogenase, putative 0.0054 0.1881 1
Echinococcus multilocularis L lactate dehydrogenase B chain 0.014 0.5495 1
Echinococcus granulosus L lactate dehydrogenase 0.0085 0.3197 0.5817
Schistosoma mansoni glutaminase 0.0246 1 1
Echinococcus multilocularis malate dehydrogenase 0.0054 0.1881 0.3423
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0388 0.0706
Toxoplasma gondii malate dehydrogenase MDH 0.014 0.5495 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2128 0.2128
Echinococcus multilocularis tar DNA binding protein 0.0069 0.2489 0.4529
Echinococcus granulosus L lactate dehydrogenase B chain 0.014 0.5495 1
Echinococcus granulosus GPCR family 2 0.0019 0.0388 0.0706
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0054 0.1881 0.1415
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2489 0.2489
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0543 0.0988
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1323 0.1323
Entamoeba histolytica malate dehydrogenase, putative 0.014 0.5495 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0054 0.1881 0.1415
Giardia lamblia Malate dehydrogenase 0.0054 0.1881 1
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0054 0.1881 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0054 0.1881 0.1415
Trypanosoma brucei malate dehydrogenase-related 0.0054 0.1881 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0388 0.0388
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0543 0.2124
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0543 0.0679
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0388 0.0706
Trypanosoma brucei cytosolic malate dehydrogenase 0.0054 0.1881 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2489 0.2489
Trichomonas vaginalis malate dehydrogenase, putative 0.0054 0.1881 0.1415
Trichomonas vaginalis malate dehydrogenase, putative 0.0054 0.1881 0.1415
Echinococcus granulosus malate dehydrogenase 0.0054 0.1881 0.3423
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0543 0.2124
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2128 0.2128
Schistosoma mansoni malate dehydrogenase 0.0054 0.1881 0.1881
Loa Loa (eye worm) glutaminase 0.0246 1 1
Toxoplasma gondii exonuclease III APE 0.0023 0.0543 0.0679
Echinococcus granulosus lactate dehydrogenase a 0.014 0.5495 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2489 0.2489
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0054 0.1881 0.5
Toxoplasma gondii lactate dehydrogenase LDH1 0.014 0.5495 1
Schistosoma mansoni ap endonuclease 0.0023 0.0543 0.0543
Trichomonas vaginalis malate dehydrogenase, putative 0.0054 0.1881 0.1415
Trichomonas vaginalis malate dehydrogenase, putative 0.0054 0.1881 0.1415
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0054 0.1881 0.1415
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0543 0.0543
Trichomonas vaginalis malate dehydrogenase, putative 0.0054 0.1881 0.1415
Brugia malayi Isocitrate dehydrogenase 0.0014 0.0182 0.0182
Plasmodium vivax lactate/malate dehydrogenase, putative 0.0054 0.1881 0.3198
Toxoplasma gondii lactate dehydrogenase LDH2 0.014 0.5495 1
Leishmania major glycosomal malate dehydrogenase 0.0054 0.1881 0.3198
Loa Loa (eye worm) transcription factor SMAD2 0.0145 0.5714 0.5714
Loa Loa (eye worm) TAR-binding protein 0.0069 0.2489 0.2489
Schistosoma mansoni L-lactate dehydrogenase 0.0054 0.1881 0.1881
Trypanosoma cruzi malate dehydrogenase, putative 0.0054 0.1881 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0543 0.0988
Loa Loa (eye worm) malate dehydrogenase 0.0054 0.1881 0.1881
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0054 0.1881 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0014 0.0182 0.0331
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0054 0.1881 0.3423
Plasmodium vivax malate dehydrogenase, putative 0.014 0.5495 1
Echinococcus multilocularis lactate dehydrogenase protein 0.014 0.5495 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0054 0.1881 0.3423
Leishmania major mitochondrial malate dehydrogenase 0.0054 0.1881 0.3198
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.2489 0.2489
Echinococcus granulosus malate dehydrogenase 0.0054 0.1881 0.3423
Leishmania major malate dehydrogenase, putative 0.014 0.5495 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0014 0.0182 0.0331
Trypanosoma brucei glycosomal malate dehydrogenase 0.0054 0.1881 1
Schistosoma mansoni L-lactate dehydrogenase 0.014 0.5495 0.5495
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0014 0.0182 0.0331
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2489 0.2489
Schistosoma mansoni hypothetical protein 0.0019 0.0388 0.0388
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0054 0.1881 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0014 0.0182 0.0331
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.2489 0.2489
Trichomonas vaginalis malate dehydrogenase, putative 0.0054 0.1881 0.1415
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0543 0.0543
Echinococcus granulosus lactate dehydrogenase protein 0.014 0.5495 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0543 0.2124
Echinococcus granulosus cytosolic malate dehydrogenase 0.0054 0.1881 0.3423
Echinococcus granulosus lactate dehydrogenase a 0.014 0.5495 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0014 0.0182 0.0182
Mycobacterium ulcerans malate dehydrogenase 0.0054 0.1881 0.1415
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0388 0.0388
Trichomonas vaginalis malate dehydrogenase, putative 0.0054 0.1881 0.1415
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0054 0.1881 1
Echinococcus multilocularis lactate dehydrogenase a 0.014 0.5495 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0054 0.1881 0.1415
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0054 0.1881 0.1415
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0054 0.1881 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0014 0.0182 0.0331
Echinococcus granulosus tar DNA binding protein 0.0069 0.2489 0.4529
Plasmodium falciparum malate dehydrogenase 0.014 0.5495 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0388 0.0388
Echinococcus multilocularis lactate dehydrogenase a 0.014 0.5495 1
Schistosoma mansoni malate dehydrogenase 0.0054 0.1881 0.1881
Trichomonas vaginalis malate dehydrogenase, putative 0.0054 0.1881 0.1415
Schistosoma mansoni hypothetical protein 0.0041 0.1323 0.1323
Loa Loa (eye worm) hypothetical protein 0.0041 0.1323 0.1323
Plasmodium vivax lactate dehydrogenase 0.014 0.5495 1
Schistosoma mansoni malate dehydrogenase 0.014 0.5495 0.5495
Echinococcus granulosus cytosolic malate dehydrogenase 0.0054 0.1881 0.3423
Entamoeba histolytica malate dehydrogenase, putative 0.0054 0.1881 0.2702
Schistosoma mansoni hypothetical protein 0.0019 0.0388 0.0388
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2489 0.2489
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0388 0.0388
Plasmodium falciparum L-lactate dehydrogenase 0.014 0.5495 1
Brugia malayi RNA binding protein 0.0069 0.2489 0.2489
Brugia malayi MH2 domain containing protein 0.0145 0.5714 0.5714
Leishmania major malate dehydrogenase 0.0054 0.1881 0.3198
Mycobacterium ulcerans glutaminase 0.0246 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2128 0.2128
Loa Loa (eye worm) MH2 domain-containing protein 0.0145 0.5714 0.5714
Schistosoma mansoni hypothetical protein 0.0019 0.0388 0.0388
Trichomonas vaginalis malate dehydrogenase, putative 0.0054 0.1881 0.1415
Loa Loa (eye worm) hypothetical protein 0.014 0.5495 0.5495
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0543 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0388 0.0388
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0388 0.0706
Loa Loa (eye worm) hypothetical protein 0.006 0.2128 0.2128
Loa Loa (eye worm) glutaminase 2 0.0246 1 1
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0054 0.1881 0.2702
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0014 0.0182 0.0182
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0543 0.2124
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0388 0.0706
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0054 0.1881 1
Brugia malayi lactate dehydrogenase. 0.014 0.5495 0.5495
Echinococcus multilocularis GPCR, family 2 0.0019 0.0388 0.0706
Brugia malayi TAR-binding protein 0.0069 0.2489 0.2489
Trichomonas vaginalis malate dehydrogenase, putative 0.0026 0.0702 0.0169

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1889 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 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) 25.1189 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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