Detailed information for compound 269474

Basic information

Technical information
  • TDR Targets ID: 269474
  • Name: N-[(4-butoxyphenyl)methyl]formamide
  • MW: 207.269 | Formula: C12H17NO2
  • H donors: 1 H acceptors: 1 LogP: 2.86 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1)CNC=O
  • InChi: 1S/C12H17NO2/c1-2-3-8-15-12-6-4-11(5-7-12)9-13-10-14/h4-7,10H,2-3,8-9H2,1H3,(H,13,14)
  • InChiKey: IKTKKUUKWIOWDW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-butoxyphenyl)methyl]methanamide
  • N-(4-butoxybenzyl)formamide
  • 87578-63-0
  • 4-Bbfa
  • Formamide, N-((4-butoxyphenyl)methyl)-
  • N-(para-Butoxybenzyl)formamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Alcohol dehydrogenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii Zn-containing alcohol dehydrogenase Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase Get druggable targets OG5_127257 All targets in OG5_127257
Candida albicans similar to C termini of C.maltosa FDH1 and S. cerevisiae SFA1 (YDL168W) glutathione-dependent formaldehyde dehydrogenase, long-c Get druggable targets OG5_127257 All targets in OG5_127257
Brugia malayi Alcohol dehydrogenase class III Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 Get druggable targets OG5_127257 All targets in OG5_127257
Schistosoma japonicum ko:K00001 alcohol dehydrogenase [EC1.1.1.1], putative Get druggable targets OG5_127257 All targets in OG5_127257
Schistosoma mansoni alcohol dehydrogenase Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1 Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) Get druggable targets OG5_127257 All targets in OG5_127257
Schistosoma japonicum Alcohol dehydrogenase class-3, putative Get druggable targets OG5_127257 All targets in OG5_127257
Schistosoma japonicum Alcohol dehydrogenase class-3, putative Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD Get druggable targets OG5_127257 All targets in OG5_127257
Onchocerca volvulus Putative alcohol dehydrogenase Get druggable targets OG5_127257 All targets in OG5_127257
Neospora caninum alcohol dehydrogenase class III, putative Get druggable targets OG5_127257 All targets in OG5_127257
Loa Loa (eye worm) alcohol dehydrogenase class III Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR Get druggable targets OG5_127257 All targets in OG5_127257
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Alcohol dehydrogenase   374 aa 376 aa 48.9 %
Toxoplasma gondii quinone oxidoreductase, putative Alcohol dehydrogenase   374 aa 323 aa 23.8 %
Mycobacterium tuberculosis Possible dehydrogenase Alcohol dehydrogenase   374 aa 350 aa 26.0 %
Trypanosoma cruzi oxidoreductase, putative Alcohol dehydrogenase   374 aa 318 aa 20.1 %
Onchocerca volvulus Putative ATP-dependent RNA helicase DDX52 Alcohol dehydrogenase   374 aa 337 aa 21.4 %
Candida albicans likely Zinc-binding dehydrogenase, one of two genes similar to S. cerevisiae YAL060W and BDH1 (YAL060W) butanediol dehydrogenase Alcohol dehydrogenase   374 aa 366 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0645 1 1
Loa Loa (eye worm) nuclear export factor CRM1 0.0012 0.0055 0.0055
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0088 0.1253 0.1223
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.3843 0.3822
Loa Loa (eye worm) hypothetical protein 0.0091 0.1291 0.1291
Schistosoma mansoni hypothetical protein 0.0015 0.0108 0.0587
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0055 0.0055
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.2475 0.2449
Schistosoma mansoni hypothetical protein 0.0015 0.0108 0.0587
Echinococcus multilocularis GPCR, family 2 0.0015 0.0108 0.0587
Loa Loa (eye worm) hypothetical protein 0.0011 0.0034 0.0034
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0055 0.002
Loa Loa (eye worm) hypothetical protein 0.0011 0.0034 0.0034
Leishmania major cytochrome p450-like protein 0.0012 0.0055 0.002
Schistosoma mansoni chromosome region maintenance protein 1/exportin 0.0018 0.0155 0.0964
Brugia malayi Cytochrome P450 family protein 0.0012 0.0055 0.002
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0108 0.0587
Loa Loa (eye worm) hypothetical protein 0.0091 0.1291 0.1291
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0645 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.2475 0.2449
Schistosoma mansoni hypothetical protein 0.0015 0.0108 0.0587
Onchocerca volvulus Putative alcohol dehydrogenase 0.0088 0.1253 0.4993
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0108 0.0587
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.2616 0.259
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0091 0.1291 0.1261
Trypanosoma brucei exportin 1 0.0018 0.0155 0.0122
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0091 0.1291 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0253 0.3843 0.3822
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0091 0.1291 0.1261
Brugia malayi Synaptic glycoprotein SC2 0.0091 0.1291 0.1261
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0088 0.1253 0.1253
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0091 0.1291 0.1261
Brugia malayi Importin-beta N-terminal domain containing protein 0.0018 0.0155 0.0122
Wolbachia endosymbiont of Brugia malayi NADPH:quinone reductase 0.0011 0.0034 0.5
Onchocerca volvulus 0.0091 0.1291 0.5147
Loa Loa (eye worm) hypothetical protein 0.0049 0.0633 0.0633
Mycobacterium tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0078 0.1084 0.8612
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0645 1 1
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0091 0.1291 0.1261
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.3843 0.3822
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0088 0.1253 0.1223
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0108 0.0587
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0091 0.1291 1
Schistosoma mansoni hypothetical protein 0.0033 0.039 0.2831
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0645 1 1
Plasmodium falciparum polyprenol reductase, putative 0.0091 0.1291 1
Trichomonas vaginalis chromosome region maintenance protein, putative 0.0018 0.0152 0.0118
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.3843 0.3822
Giardia lamblia Synaptic glycoprotein SC2 0.0091 0.1291 1
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0091 0.1291 1
Trypanosoma brucei cytochrome P450, putative 0.0012 0.0055 0.002
Echinococcus multilocularis exportin 1 0.0018 0.0155 0.0964
Trypanosoma cruzi exportin 1, putative 0.0018 0.0155 0.0122
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.2475 0.2449
Trypanosoma cruzi cytochrome P450, putative 0.0012 0.0055 0.002
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1 0.0078 0.1084 0.8612
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0108 0.0074
Loa Loa (eye worm) hypothetical protein 0.0015 0.0108 0.0108
Schistosoma mansoni hypothetical protein 0.0015 0.0108 0.0587
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.2475 0.2449
Onchocerca volvulus Glucosylceramidase homolog 0.0166 0.2475 1
Schistosoma mansoni chromosome region maintenance protein 1/exportin 0.0018 0.0152 0.0934
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0633 0.0633
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0088 0.1253 0.1223
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0091 0.1291 0.1261
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0091 0.1291 0.1261
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0633 0.0601
Brugia malayi Alcohol dehydrogenase class III 0.0088 0.1253 0.1223
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0645 1 1
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0088 0.1253 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0134 0.0134
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0091 0.1291 0.1261
Toxoplasma gondii exportin 1, putative 0.0018 0.0155 0.0122
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0055 0.0055
Echinococcus granulosus synaptic glycoprotein sc2 0.0091 0.1291 1
Brugia malayi Cytochrome P450 family protein 0.0012 0.0055 0.002
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.3843 0.3822
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0108 0.0074
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0088 0.1253 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0034 0.0034
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.2475 0.2449
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0088 0.1253 0.1223
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0108 0.0587
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0091 0.1291 0.1261
Entamoeba histolytica hypothetical protein 0.0018 0.0152 0.0118
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0088 0.1253 0.1223
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.3843 0.3822
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0055 0.0055
Leishmania major exportin 1, putative 0.0018 0.0155 0.0122
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.2475 0.2449
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0645 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0012 0.0055 0.002
Plasmodium vivax polyprenol reductase, putative 0.0091 0.1291 1
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0645 1 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0645 1 1
Schistosoma mansoni alcohol dehydrogenase 0.0088 0.1253 0.9701
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0088 0.1253 0.1223
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.1291 0.1261
Loa Loa (eye worm) hypothetical protein 0.0033 0.039 0.039
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0091 0.1291 1
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.2616 0.259
Entamoeba histolytica hypothetical protein 0.0091 0.1291 0.1261
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.1291 0.1261
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0091 0.1291 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0011 0.0034 0.0034
Echinococcus multilocularis synaptic glycoprotein sc2 0.0091 0.1291 1
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.3843 0.3822
Loa Loa (eye worm) hypothetical protein 0.0645 1 1
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0091 0.1291 0.1261
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0645 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.2475 0.2449
Echinococcus granulosus GPCR family 2 0.0015 0.0108 0.0587
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0253 0.3843 0.3843
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0091 0.1291 0.1261
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0091 0.1291 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.039 0.0357
Mycobacterium ulcerans hypothetical protein 0.0645 1 1
Echinococcus granulosus exportin 1 0.0018 0.0155 0.0964
Trichomonas vaginalis chromosome region maintenance protein, putative 0.0018 0.0155 0.0122
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0633 0.0601

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 7.4 Inhibitory activity against horse liver alcohol dehydrogenase (ADH) ChEMBL. 2939242
Log 1/Ki (binding) = 7.4 Inhibitory activity against horse liver alcohol dehydrogenase (ADH) ChEMBL. 2939242

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

1 literature reference was collected for this gene.

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