Detailed information for compound 1476899

Basic information

Technical information
  • TDR Targets ID: 1476899
  • Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]- 1-phenylethanol
  • MW: 315.407 | Formula: C19H25NO3
  • H donors: 1 H acceptors: 1 LogP: 3.01 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCN(CC(c2ccccc2)O)C)ccc1OC
  • InChi: 1S/C19H25NO3/c1-20(14-17(21)16-7-5-4-6-8-16)12-11-15-9-10-18(22-2)19(13-15)23-3/h4-10,13,17,21H,11-12,14H2,1-3H3
  • InChiKey: CRRAPHVQWSGGJX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-phenyl-ethanol

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 aldehyde dehydrogenase, mitochondrial 0.0129 0.0365 0.0933
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1224 0.3874 1
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.3135 1 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0004 0.0004
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.3135 1 1
Schistosoma mansoni hypothetical protein 0.0074 0.0187 0.0183
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0017 0.0034
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.0122 0.0112
Mycobacterium ulcerans aldehyde dehydrogenase 0.0129 0.0365 0.0355
Loa Loa (eye worm) hypothetical protein 0.0017 0.0004 0.0057
Schistosoma mansoni lamin 0.0029 0.0043 0.004
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0017 0.0267
Echinococcus granulosus intermediate filament protein 0.0029 0.0043 0.0102
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.001 0.0164
Echinococcus multilocularis tar DNA binding protein 0.0195 0.0576 0.1479
Echinococcus multilocularis musashi 0.0029 0.0043 0.0102
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0187 0.0183
Echinococcus multilocularis lamin dm0 0.0029 0.0043 0.0102
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.1224 0.3874 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0119 0.0119
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0017 0.0017
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1224 0.3874 0.3868
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0017 0.0006
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.0122 0.0307
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0122 0.0112
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0017 0.0006
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1224 0.3874 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.1224 0.3874 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0017 0.0006
Mycobacterium ulcerans aldehyde dehydrogenase 0.0129 0.0365 0.0355
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0004 0.0004
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0099 0.0246
Schistosoma mansoni tar DNA-binding protein 0.0195 0.0576 0.0573
Echinococcus granulosus polycomb protein SCMH1 0.0051 0.0115 0.0287
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1224 0.3874 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0099 0.0095
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0054 0.0122 0.0112
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0017 0.0006
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.3135 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.001 0.001
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0047 0.0044
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0058 0.0137 0.0137
Schistosoma mansoni tar DNA-binding protein 0.0195 0.0576 0.0573
Entamoeba histolytica hypothetical protein 0.0074 0.0187 0.0456
Loa Loa (eye worm) hypothetical protein 0.0058 0.0137 0.2194
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.3135 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0017 0.0006
Schistosoma mansoni tar DNA-binding protein 0.0195 0.0576 0.0573
Echinococcus granulosus histone acetyltransferase MYST2 0.0058 0.0137 0.0345
Loa Loa (eye worm) hypothetical protein 0.0053 0.0119 0.1898
Trypanosoma brucei protein kinase, putative 0.0054 0.0122 0.0112
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.0122 0.0307
Loa Loa (eye worm) TAR-binding protein 0.0195 0.0576 0.9208
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0187 0.0473
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0119 0.0119
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.0122 0.0112
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.3135 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.3135 1 1
Schistosoma mansoni tar DNA-binding protein 0.0195 0.0576 0.0573
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0028 0.0041 0.0662
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0017 0.0006
Onchocerca volvulus 0.024 0.0719 1
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.0122 1
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.3135 1 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0129 0.0365 0.0355
Schistosoma mansoni ap endonuclease 0.0019 0.001 0.0007
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0017 0.0006
Loa Loa (eye worm) hypothetical protein 0.0029 0.0043 0.0689
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0017 0.0006
Echinococcus multilocularis SAM and MBT domain containing protein 0.0051 0.0115 0.0287
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0017 0.0006
Schistosoma mansoni hypothetical protein 0.0036 0.0065 0.0062
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0054 0.0122 0.0112
Onchocerca volvulus 0.0051 0.0115 0.1057
Echinococcus granulosus lamin 0.0029 0.0043 0.0102
Brugia malayi intermediate filament protein 0.0029 0.0043 0.0043
Leishmania major DNA polymerase eta, putative 0.0021 0.0017 0.0006
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0099 0.0095
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.0122 0.1958
Echinococcus granulosus dna polymerase eta 0.0021 0.0017 0.0034
Entamoeba histolytica hypothetical protein 0.0074 0.0187 0.0456
Brugia malayi MAP kinase sur-1 0.0054 0.0122 0.0122
Brugia malayi RNA binding protein 0.0195 0.0576 0.0576
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0047 0.0044
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0043 0.0043
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0195 0.0576 0.9208
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0122 0.029
Loa Loa (eye worm) hypothetical protein 0.0051 0.0115 0.1831
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0122 0.029
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0044 0.0103
Toxoplasma gondii aldehyde dehydrogenase 0.0129 0.0365 0.0355
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0017 0.0006
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.001 0.0017
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0129 0.0365 0.0355
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.1224 0.3874 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0017 0.0267
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.1224 0.3874 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0017 0.0006
Schistosoma mansoni hypothetical protein 0.0315 0.0961 0.0958
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.3135 1 1
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0017 0.0034
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0051 0.0115 0.1057
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0017 0.0006
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0054 0.0122 0.0112
Giardia lamblia DINP protein human, muc B family 0.0021 0.0017 0.0578
Echinococcus granulosus lamin dm0 0.0029 0.0043 0.0102
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.3135 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0129 0.0365 0.0355
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.001 0.0017
Schistosoma mansoni aldehyde dehydrogenase 0.0129 0.0365 0.0361
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0058 0.0137 0.0345
Schistosoma mansoni dihydroorotate dehydrogenase 0.3135 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.0122 0.0112
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0017 0.0006
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0043 0.0689
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0119 0.1898
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0115 0.0111
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0122 0.029
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0017 0.0006
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0017 0.0006
Schistosoma mansoni lamin 0.0029 0.0043 0.004
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0017 0.0017
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0017 0.0006
Brugia malayi Pre-SET motif family protein 0.0211 0.0626 0.0626
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0115 0.0111
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0004 0.0057
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1224 0.3874 1
Schistosoma mansoni tar DNA-binding protein 0.0195 0.0576 0.0573
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.3135 1 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0206 0.061 0.1566
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0047 0.0044
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.001 0.5
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.3135 1 1
Echinococcus multilocularis dna polymerase eta 0.0021 0.0017 0.0034
Brugia malayi RNA recognition motif domain containing protein 0.0195 0.0576 0.0576
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0122 0.0119
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.0122 0.0307
Entamoeba histolytica hypothetical protein 0.0074 0.0187 0.0456
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.0122 0.0307
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0187 0.0473
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0047 0.0112
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0047 0.0112
Loa Loa (eye worm) hypothetical protein 0.003 0.0047 0.0753
Schistosoma mansoni intermediate filament proteins 0.0029 0.0043 0.004
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0099 0.0246
Trichomonas vaginalis set domain proteins, putative 0.024 0.0719 0.1834
Brugia malayi TAR-binding protein 0.0195 0.0576 0.0576
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0017 0.0017
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.1224 0.3874 1
Echinococcus granulosus dna polymerase kappa 0.0021 0.0017 0.0034
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0017 0.0006
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0017 0.0006
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0017 0.0006
Loa Loa (eye worm) mbt repeat family protein 0.0051 0.0115 0.1831
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.0122 0.0112
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0129 0.0365 0.0933
Loa Loa (eye worm) MBCTL1 0.0058 0.0137 0.2194
Leishmania major dihydroorotate dehydrogenase 0.3135 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0047 0.0037
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0017 0.0006
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0017 0.0034
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0017 0.0006
Echinococcus multilocularis histone acetyltransferase MYST2 0.0058 0.0137 0.0345
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0017 0.0006
Schistosoma mansoni myelin transcription factor 1 myt1 0.0058 0.0137 0.0134
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.0122 0.029
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.1224 0.3874 1
Trypanosoma brucei unspecified product 0.0021 0.0017 0.0006
Echinococcus multilocularis polycomb protein SCMH1 0.0051 0.0115 0.0287
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0017 0.0013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0099 0.0095
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0206 0.061 0.1566
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0017 0.0006
Brugia malayi mbt repeat family protein 0.0051 0.0115 0.0115
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0017 0.0006
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0099 0.1577
Echinococcus multilocularis lamin 0.0029 0.0043 0.0102
Schistosoma mansoni DNA polymerase eta 0.0021 0.0017 0.0013
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0047 0.0044
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0047 0.0112
Brugia malayi Pre-SET motif family protein 0.003 0.0047 0.0047
Entamoeba histolytica hypothetical protein 0.0074 0.0187 0.0456
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0058 0.0137 0.0345
Brugia malayi hypothetical protein 0.0074 0.0187 0.0187
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0017 0.0013
Plasmodium vivax SET domain protein, putative 0.003 0.0047 0.0037
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.0626 1
Echinococcus granulosus tar DNA binding protein 0.0195 0.0576 0.1479
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0017 0.0017
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0099 0.0246
Brugia malayi mbt repeat family protein 0.0051 0.0115 0.0115
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.1224 0.3874 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0017 0.0017
Onchocerca volvulus 0.003 0.0047 0.0059
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0099 0.0246
Schistosoma mansoni aldehyde dehydrogenase 0.0129 0.0365 0.0361
Echinococcus granulosus SAM and MBT domain containing protein 0.0051 0.0115 0.0287
Leishmania major DNA polymerase kappa, putative 0.0021 0.0017 0.0006
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0051 0.0115 0.0111
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0043 0.0689
Loa Loa (eye worm) hypothetical protein 0.0036 0.0065 0.1046
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0099 0.0099
Plasmodium falciparum dihydroorotate dehydrogenase 0.3135 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.001 0.0007
Loa Loa (eye worm) RNA binding protein 0.0195 0.0576 0.9208
Brugia malayi Zinc finger, C2H2 type family protein 0.1224 0.3874 0.3874

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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