Detailed information for compound 900318

Basic information

Technical information
  • TDR Targets ID: 900318
  • Name: 4-(2-methylpropoxy)-N-(pyridin-4-ylmethyl)ben zamide
  • MW: 284.353 | Formula: C17H20N2O2
  • H donors: 1 H acceptors: 2 LogP: 2.93 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(COc1ccc(cc1)C(=O)NCc1ccncc1)C
  • InChi: 1S/C17H20N2O2/c1-13(2)12-21-16-5-3-15(4-6-16)17(20)19-11-14-7-9-18-10-8-14/h3-10,13H,11-12H2,1-2H3,(H,19,20)
  • InChiKey: CIRQIKUUSUWPPU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-isobutoxy-N-(4-pyridylmethyl)benzamide
  • ZINC04865893

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 multilocularis bloom syndrome protein 0.0023 0.0818 0.1025
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.021 0.0115
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0335 0.2209
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0615 0.4301
Schistosoma mansoni Smad4 0.0008 0.0133 0.022
Loa Loa (eye worm) RNA binding protein 0.0062 0.2515 0.2838
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0615 0.0658
Giardia lamblia DINP protein human, muc B family 0.0019 0.0615 0.4023
Brugia malayi MH2 domain containing protein 0.0008 0.0133 0.0106
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.107 0.1403
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0615 0.1019
Brugia malayi RNA binding protein 0.0062 0.2515 0.2838
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0363 0.0218
Brugia malayi Pre-SET motif family protein 0.0203 0.876 1
Trypanosoma brucei glucosidase, putative 0.0035 0.1342 0.9747
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.107 0.1403
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0615 0.0474
Schistosoma mansoni ferritin 0.0008 0.0148 0.0245
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2515 0.4167
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2515 0.4167
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.1468 1
Trichomonas vaginalis DNA helicase recq, putative 0.0013 0.0335 0.019
Loa Loa (eye worm) hypothetical protein 0.001 0.021 0.0194
Brugia malayi MH2 domain containing protein 0.0008 0.0133 0.0106
Echinococcus multilocularis dna polymerase eta 0.0019 0.0615 0.0721
Echinococcus multilocularis ferritin 0.0008 0.0148 0.0022
Loa Loa (eye worm) acetyltransferase 0.0141 0.6034 0.6874
Brugia malayi MH1 domain containing protein 0.0008 0.0133 0.0106
Loa Loa (eye worm) Smad1 0.0008 0.0133 0.0106
Brugia malayi MH1 domain containing protein 0.0008 0.0133 0.0106
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0474 0.2925
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.1375 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0013 0.0363 0.0218
Mycobacterium ulcerans bacterioferritin BfrB 0.0008 0.0148 0.0804
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0615 0.4301
Onchocerca volvulus 0.0092 0.3847 0.3615
Echinococcus granulosus expressed protein 0.0008 0.0148 0.0022
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0615 0.4301
Schistosoma mansoni ferritin 0.0008 0.0148 0.0245
Loa Loa (eye worm) inositol-1 0.0036 0.1375 0.1531
Schistosoma mansoni DNA polymerase eta 0.0019 0.0615 0.1019
Treponema pallidum bacterioferrin (TpF1) 0.0008 0.0148 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0615 0.4301
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0363 0.2416
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1342 0.1212
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.107 0.1773
Loa Loa (eye worm) hypothetical protein 0.0029 0.107 0.1181
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.1621 0.1495
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.5859 0.8576
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.6034 0.8838
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.876 1
Leishmania major DNA polymerase eta, putative 0.0019 0.0615 0.4301
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.1375 0.1861
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.107 0.1773
Schistosoma mansoni smad1 5 8 and 0.0008 0.0133 0.022
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0615 0.0658
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0615 0.4301
Trichomonas vaginalis set domain proteins, putative 0.0231 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0356 0.2365
Echinococcus granulosus bloom syndrome protein 0.0023 0.0818 0.1025
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0615 0.4401
Schistosoma mansoni apoferritin-2 0.0008 0.0148 0.0245
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.021 0.0194
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0818 0.068
Trypanosoma brucei unspecified product 0.0013 0.0356 0.2365
Echinococcus multilocularis tar DNA binding protein 0.0062 0.2515 0.3567
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0615 0.4301
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1342 0.1212
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0363 0.0218
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.1621 0.2228
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.1342 0.9747
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.021 0.0115
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0335 0.2209
Leishmania major DNA polymerase kappa, putative 0.0019 0.0615 0.4301
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1375 0.1246
Trypanosoma brucei unspecified product 0.0019 0.0615 0.4301
Schistosoma mansoni alpha-glucosidase 0.0137 0.5831 0.9664
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.107 0.1773
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1375 1
Schistosoma mansoni apoferritin-2 0.0008 0.0148 0.0245
Loa Loa (eye worm) hypothetical protein 0.0019 0.0615 0.0658
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0363 0.0218
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.681 1
Schistosoma mansoni DNA helicase recq5 0.001 0.021 0.0347
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.4932 0.561
Schistosoma mansoni smad1 5 8 and 0.0008 0.0133 0.022
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.021 0.0115
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.1342 0.1492
Mycobacterium ulcerans bacterioferritin BfrA 0.0008 0.0148 0.0804
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0006 0.004 0.025
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.6034 0.6874
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0615 0.0658
Schistosoma mansoni ferritin light chain 0.0008 0.0148 0.0245
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0013 0.0363 0.2416
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.1342 0.1212
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.1375 0.1246
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.1022 0.1332
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.1342 0.9142
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0615 0.4301
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2515 0.4167
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0615 0.4301
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1342 0.9747
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0615 0.0721
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.1342 0.1212
Echinococcus multilocularis expressed protein 0.0008 0.0148 0.0022
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0356 0.2365
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0615 0.4301
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1342 0.9747
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1375 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0013 0.0363 0.0218
Brugia malayi MH2 domain containing protein 0.0117 0.4932 0.561
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.001 0.021 0.1185
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1342 0.1212
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0615 0.0474
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.2515 0.2838
Schistosoma mansoni inositol monophosphatase 0.0036 0.1375 0.2279
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.1468 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0615 0.4301
Brugia malayi Pre-SET motif family protein 0.0029 0.107 0.1181
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.681 0.7764
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0615 0.4301
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0335 0.2209
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.1342 0.9142
Schistosoma mansoni smad 0.0008 0.0133 0.022
Brugia malayi TAR-binding protein 0.0062 0.2515 0.2838
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2515 0.4167
Trypanosoma brucei glycosyl hydrolase-like protein 0.0013 0.0363 0.2416
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.1621 1
Echinococcus granulosus dna polymerase kappa 0.0019 0.0615 0.0721
Loa Loa (eye worm) hypothetical protein 0.0118 0.4995 0.5682
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0615 0.0721
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0133 0.022
Schistosoma mansoni inositol monophosphatase 0.0036 0.1375 0.2279
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.021 0.1185
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1342 0.1212
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0363 0.0218
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.1208 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0615 0.4301
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0692 0.4565
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.4932 0.561
Schistosoma mansoni ferritin light chain 0.0008 0.0148 0.0245
Schistosoma mansoni smad1 5 8 and 0.0008 0.0133 0.022
Onchocerca volvulus 0.0029 0.107 0.0733
Brugia malayi Smad1 0.0008 0.0133 0.0106
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0363 0.0218
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.1621 0.1495
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0615 0.4301
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.1375 0.9372
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.021 0.0194
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0615 0.4188
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0615 0.4301
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0615 0.0721
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.1375 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0615 0.4301
Plasmodium vivax SET domain protein, putative 0.0029 0.107 0.6514
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.107 0.1403
Loa Loa (eye worm) hypothetical protein 0.0013 0.0363 0.037
Schistosoma mansoni DNA polymerase IV / kappa 0.0006 0.004 0.0067
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0615 0.1019
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0133 0.0106
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.681 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.004 0.025
Schistosoma mansoni alpha-glucosidase 0.0137 0.5831 0.9664
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.004 0.025
Schistosoma mansoni ferritin 0.0008 0.0148 0.0245
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0615 0.4301
Echinococcus granulosus dna polymerase eta 0.0019 0.0615 0.0721
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0615 0.4301
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1375 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.1342 0.181
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1375 1
Schistosoma mansoni DNA helicase recq1 0.001 0.021 0.0347
Loa Loa (eye worm) RecQ helicase 0.0023 0.0818 0.0891
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.2515 0.2838
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.021 0.1293
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0818 0.0891
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0615 0.4301
Loa Loa (eye worm) TAR-binding protein 0.0062 0.2515 0.2838
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0615 0.4401
Trypanosoma brucei unspecified product 0.0013 0.0356 0.2365
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.1342 0.181
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.1208 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.107 0.6601
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0615 0.4301
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0615 0.4301
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.107 0.1773
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.1468 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1375 0.1246
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.1375 0.8486
Schistosoma mansoni ferritin 0.0008 0.0148 0.0245
Brugia malayi Glycosyl hydrolases family 31 protein 0.0013 0.0363 0.037
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.1342 0.8278
Brugia malayi Inositol-1 0.0036 0.1375 0.1531
Schistosoma mansoni alpha glucosidase 0.0035 0.1342 0.2223
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.1375 0.1861
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.06 0.0994
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.1621 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0133 0.0106
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0482 0.2796
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.6034 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0818 0.068
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0615 0.4301
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0013 0.0363 0.2473
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2515 0.4167
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0615 0.4301
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.1342 0.1212
Trichomonas vaginalis alpha-glucosidase, putative 0.0013 0.0363 0.0218
Echinococcus granulosus tar DNA binding protein 0.0062 0.2515 0.3567
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1342 0.1212
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.021 0.0194
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.1621 1
Leishmania major glycosyl hydrolase-like protein 0.0013 0.0363 0.2416
Echinococcus granulosus ferritin 0.0008 0.0148 0.0022
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0335 0.2285
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.021 0.1293
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.681 0.7764
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.021 0.0115
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.1342 0.1492
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.1342 0.1212
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0356 0.2365
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.681 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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