Detailed information for compound 659370

Basic information

Technical information
  • TDR Targets ID: 659370
  • Name: 3-chloro-4-ethoxy-N-[4-(pyridin-4-ylmethyl)ph enyl]benzamide
  • MW: 366.841 | Formula: C21H19ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 4.57 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)Cc1ccncc1
  • InChi: 1S/C21H19ClN2O2/c1-2-26-20-8-5-17(14-19(20)22)21(25)24-18-6-3-15(4-7-18)13-16-9-11-23-12-10-16/h3-12,14H,2,13H2,1H3,(H,24,25)
  • InChiKey: XLTIXAMWNRAWGJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-chloro-4-ethoxy-N-[4-(4-pyridylmethyl)phenyl]benzamide
  • Oprea1_722906
  • ZINC05073302
  • EU-0071059
  • BIM-0041110.P001
  • CBMicro_041242

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.021 0.0349
Echinococcus granulosus tar DNA binding protein 0.0067 0.2537 0.4681
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1624 0.2896
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.021 0.0339
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.021 0.0339
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.021 0.0339
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2537 0.4545
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.057 0.3801
Brugia malayi isocitrate dehydrogenase 0.0016 0.0452 0.0491
Echinococcus multilocularis Smad4 0.0008 0.0132 0.0199
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0452 0.0776
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.021 0.0215
Loa Loa (eye worm) hypothetical protein 0.001 0.021 0.0215
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0452 0.0491
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.021 0.0339
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.136 1
Schistosoma mansoni ap endonuclease 0.0019 0.057 0.0991
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1624 0.2983
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2537 0.4545
Brugia malayi Smad1 0.0008 0.0132 0.0126
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0452 0.0776
Trichomonas vaginalis set domain proteins, putative 0.0252 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0452 0.3009
Loa Loa (eye worm) RNA binding protein 0.0067 0.2537 0.2876
Loa Loa (eye worm) hypothetical protein 0.001 0.021 0.0215
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.021 0.0349
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.057 0.1308
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0899 0.1004
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.1096 0.1999
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.021 0.0339
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1624 0.2896
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0452 0.0776
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.021 0.0215
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0452 0.0776
Echinococcus granulosus FTZ F1 alpha 0.001 0.021 0.0349
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.021 0.0215
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.057 0.0627
Brugia malayi Pre-SET motif family protein 0.0032 0.1096 0.1228
Brugia malayi Latrophilin receptor protein 2 0.0033 0.1129 0.1266
Plasmodium vivax SET domain protein, putative 0.0032 0.1096 0.7303
Schistosoma mansoni smad1 5 8 and 0.0008 0.0132 0.0199
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.021 0.0215
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.021 0.0215
Loa Loa (eye worm) hypothetical protein 0.001 0.021 0.0215
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0132 0.0199
Echinococcus granulosus lamin dm0 0.0027 0.0899 0.1633
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0132 0.0199
Schistosoma mansoni Smad4 0.0008 0.0132 0.0199
Toxoplasma gondii exonuclease III APE 0.0019 0.057 0.3801
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.1501 1
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.021 0.0339
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0395 0.0426
Loa Loa (eye worm) steroid hormone receptor 0.001 0.021 0.0215
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.3974 0.4521
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1624 0.1833
Loa Loa (eye worm) hypothetical protein 0.007 0.2657 0.3014
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.5555 0.6329
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1624 0.2983
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0337 0.0586
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.021 0.0215
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0452 0.0776
Loa Loa (eye worm) hypothetical protein 0.0012 0.0317 0.0337
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2537 0.4545
Echinococcus multilocularis musashi 0.0027 0.0899 0.1586
Echinococcus granulosus lamin 0.0027 0.0899 0.1633
Echinococcus granulosus GPCR family 2 0.0033 0.1129 0.206
Loa Loa (eye worm) hypothetical protein 0.0013 0.0337 0.036
Schistosoma mansoni hypothetical protein 0.0033 0.1129 0.2
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.021 0.0349
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.021 0.0215
Schistosoma mansoni hypothetical protein 0.007 0.2657 0.4763
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.021 0.0349
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.021 0.0215
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.1501 1
Loa Loa (eye worm) hypothetical protein 0.001 0.021 0.0215
Loa Loa (eye worm) hypothetical protein 0.0012 0.0317 0.0337
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.021 0.0215
Brugia malayi Pre-SET motif family protein 0.0221 0.8763 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.1096 0.1941
Schistosoma mansoni thyroid hormone receptor 0.001 0.021 0.0339
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.021 0.0349
Loa Loa (eye worm) hypothetical protein 0.0032 0.1096 0.1228
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.021 0.0339
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.1129 0.2
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.057 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.057 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.451 0.5134
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2537 0.4545
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.021 0.0349
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.1096 0.7303
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.021 0.0339
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.057 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.021 0.0215
Brugia malayi TAR-binding protein 0.0067 0.2537 0.2876
Schistosoma mansoni tar DNA-binding protein 0.0067 0.2537 0.4545
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.021 0.0215
Echinococcus granulosus Smad4 0.0008 0.0132 0.0205
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.1129 0.1266
Echinococcus multilocularis smad 0.0008 0.0132 0.0199
Schistosoma mansoni hypothetical protein 0.0033 0.1129 0.2
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.021 0.0339
Brugia malayi Steroid receptor seven-up type 2 0.001 0.021 0.0215
Loa Loa (eye worm) hypothetical protein 0.0027 0.0899 0.1004
Loa Loa (eye worm) acetyltransferase 0.0142 0.5555 0.6329
Onchocerca volvulus 0.0032 0.1096 0.0905
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.021 0.0339
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.3974 0.4521
Echinococcus multilocularis FTZ F1 alpha 0.001 0.021 0.0339
Schistosoma mansoni thyroid hormone receptor 0.001 0.021 0.0339
Onchocerca volvulus 0.0027 0.0899 0.0704
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0452 0.0491
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.057 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1624 0.1833
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.021 0.0339
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.021 0.0349
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.021 0.0215
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.021 0.0339
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0132 0.0199
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.057 1
Schistosoma mansoni lamin 0.0027 0.0899 0.1586
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.021 0.0215
Brugia malayi steroid hormone receptor 0.001 0.021 0.0215
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.057 0.0627
Schistosoma mansoni smad1 5 8 and 0.0008 0.0132 0.0199
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.021 0.0339
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0452 0.3009
Loa Loa (eye worm) hypothetical protein 0.001 0.021 0.0215
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0899 0.1004
Schistosoma mansoni hypothetical protein 0.0033 0.1129 0.2
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.021 0.0215
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0452 0.0776
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1624 0.2896
Schistosoma mansoni ap endonuclease 0.0019 0.057 0.0991
Echinococcus multilocularis lamin dm0 0.0027 0.0899 0.1586
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.021 0.0339
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1624 0.2896
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0337 0.0569
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.021 0.0339
Schistosoma mansoni hypothetical protein 0.0033 0.1129 0.2
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.1129 0.206
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0132 0.0126
Onchocerca volvulus 0.0027 0.0899 0.0704
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.057 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.021 0.0215
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.1096 0.1941
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.1501 0.0987
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.057 0.1021
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.1096 0.1941
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.1501 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.1049 0.1911
Brugia malayi intermediate filament protein 0.0027 0.0899 0.1004
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.057 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0899 0.1586
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.5555 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.1501 0.0987
Schistosoma mansoni smad 0.0008 0.0132 0.0199
Brugia malayi MH2 domain containing protein 0.0116 0.451 0.5134
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.1129 0.206
Echinococcus granulosus smad 0.0008 0.0132 0.0205
Brugia malayi RNA binding protein 0.0067 0.2537 0.2876
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.021 0.0339
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.021 0.0339
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0395 0.0426
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.5394 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.088 0.0981
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.021 0.0215
Schistosoma mansoni nuclear hormone receptor 0.001 0.021 0.0339
Loa Loa (eye worm) hypothetical protein 0.001 0.021 0.0215
Loa Loa (eye worm) TAR-binding protein 0.0067 0.2537 0.2876
Echinococcus multilocularis tar DNA binding protein 0.0067 0.2537 0.4545
Brugia malayi ecdysteroid receptor 0.001 0.021 0.0215
Schistosoma mansoni smad1 5 8 and 0.0008 0.0132 0.0199
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.1501 0.2753
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0452 0.0799
Brugia malayi MH2 domain containing protein 0.0008 0.0132 0.0126
Brugia malayi MH1 domain containing protein 0.0008 0.0132 0.0126
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.1129 0.2
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.021 0.0215
Brugia malayi nuclear receptor NHR-88 0.001 0.021 0.0215
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.021 0.0215
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.3974 0.4521
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0132 0.0205
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.057 0.0991
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0452 0.3009
Echinococcus multilocularis lamin 0.0027 0.0899 0.1586
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.2537 0.2876
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.451 0.5134
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.1096 0.1941
Loa Loa (eye worm) hypothetical protein 0.001 0.021 0.0215
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0132 0.0126
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.1096 0.1941
Echinococcus multilocularis GPCR, family 2 0.0033 0.1129 0.2
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1624 0.2896
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.5555 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.2537 0.2876
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.1129 0.1266
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.021 0.0215
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.021 0.0215
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0899 0.1004
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.136 1
Brugia malayi MH1 domain containing protein 0.0008 0.0132 0.0126
Loa Loa (eye worm) Smad1 0.0008 0.0132 0.0126
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0221 0.8763 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.1129 0.1266
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.021 0.0215
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.057 1
Schistosoma mansoni coup transcription factor 0.001 0.021 0.0339
Loa Loa (eye worm) hypothetical protein 0.0103 0.3974 0.4521
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0132 0.0205
Loa Loa (eye worm) hypothetical protein 0.001 0.021 0.0215
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.021 0.0349
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.1096 0.1941
Brugia malayi nuclear hormone receptor 0.001 0.021 0.0215
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.136 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0899 0.1633
Schistosoma mansoni lamin 0.0027 0.0899 0.1586
Brugia malayi MH2 domain containing protein 0.0008 0.0132 0.0126
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.021 0.0215
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.2657 0.3014

Activities

No activities found for this compound.

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.