Detailed information for compound 1469314

Basic information

Technical information
  • TDR Targets ID: 1469314
  • Name: 1-[(4-methoxyphenyl)methylamino]-3-[4-(2-phen ylpropan-2-yl)phenoxy]propan-2-ol
  • MW: 405.529 | Formula: C26H31NO3
  • H donors: 2 H acceptors: 1 LogP: 5.11 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CNCC(COc1ccc(cc1)C(c1ccccc1)(C)C)O
  • InChi: 1S/C26H31NO3/c1-26(2,21-7-5-4-6-8-21)22-11-15-25(16-12-22)30-19-23(28)18-27-17-20-9-13-24(29-3)14-10-20/h4-16,23,27-28H,17-19H2,1-3H3
  • InChiKey: OCOYTIKNDKJCNO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(4-methoxyphenyl)methylamino]-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propan-2-ol
  • 1-[(4-methoxyphenyl)methylamino]-3-[4-(1-methyl-1-phenylethyl)phenoxy]propan-2-ol
  • 1-[(4-methoxybenzyl)amino]-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propan-2-ol

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
Brugia malayi hypothetical protein 0.0083 0.0077 0.0043
Brugia malayi serine/threonine protein kinase 6 0.0086 0.0083 0.0048
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0059 0.0035 0.5
Trichomonas vaginalis CAMK family protein kinase 0.5638 1 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0086 0.0083 0.0048
Trypanosoma cruzi cytochrome P450, putative 0.0088 0.0087 0.0053
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0086 0.0083 0.5
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.2011 0.3521 0.3498
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0059 0.0035 0.5
Loa Loa (eye worm) AUR protein kinase 0.0086 0.0083 0.0083
Echinococcus granulosus roundabout 2 0.0101 0.011 0.0075
Trichomonas vaginalis CAMK family protein kinase 0.5638 1 1
Brugia malayi serine/threonine-protein kinase 6 0.0086 0.0083 0.0048
Onchocerca volvulus Serine\/threonine kinase homolog 0.5638 1 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0059 0.0035 0.5
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0083 0.0077 0.0043
Trichomonas vaginalis CAMK family protein kinase 0.5638 1 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0059 0.0035 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0088 0.0087 0.0087
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0059 0.0035 0.5
Echinococcus multilocularis aurora kinase A 0.0086 0.0083 0.0048
Trichomonas vaginalis CAMK family protein kinase 0.5638 1 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0077 0.0077
Echinococcus multilocularis roundabout 2 0.0101 0.011 0.0075
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0059 0.0035 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0059 0.0035 0.5
Trichomonas vaginalis CAMK family protein kinase 0.2372 0.4166 0.4117
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0083 0.0077 0.0043
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0086 0.0083 0.0048
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0059 0.0035 0.5
Leishmania major cytochrome p450-like protein 0.0088 0.0087 0.0053
Schistosoma mansoni nephrin 0.0091 0.0092 0.0057
Trichomonas vaginalis CAMK family protein kinase 0.2372 0.4166 0.4117
Echinococcus granulosus serine:threonine protein kinase PLK1 0.5638 1 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0077 0.0077
Echinococcus granulosus aurora kinase A 0.0086 0.0083 0.0048
Trypanosoma brucei polo-like protein kinase 0.5638 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.5638 1 1
Schistosoma mansoni vesicular amine transporter 0.0083 0.0077 0.0043
Brugia malayi Cytochrome P450 family protein 0.0088 0.0087 0.0053
Echinococcus granulosus Immunoglobulin 0.0083 0.0077 0.0043
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0059 0.0035 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0088 0.0087 0.0087
Brugia malayi Immunoglobulin I-set domain containing protein 0.0083 0.0077 0.0043
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0562 0.0933 0.0933
Onchocerca volvulus Tyrosine kinase homolog 0.0477 0.0781 0.003
Loa Loa (eye worm) hypothetical protein 0.0083 0.0077 0.0077
Trypanosoma brucei aurora B kinase 0.0086 0.0083 0.0048
Loa Loa (eye worm) AUR protein kinase 0.0086 0.0083 0.0083
Leishmania major protein kinase, putative 0.0086 0.0083 0.0048
Plasmodium falciparum serine/threonine protein kinase, putative 0.0086 0.0083 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.5638 1 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0077 0.0077
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0059 0.0035 0.5
Echinococcus multilocularis Immunoglobulin 0.0083 0.0077 0.0043
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0059 0.0035 0.5
Echinococcus granulosus twitchin 0.0112 0.013 0.0096
Loa Loa (eye worm) CYP4Cod1 0.0088 0.0087 0.0087
Mycobacterium leprae Conserved hypothetical protein 0.0059 0.0035 0.5
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0083 0.0077 0.0043
Echinococcus multilocularis neuroglian 0.0091 0.0092 0.0057
Loa Loa (eye worm) hypothetical protein 0.0093 0.0095 0.0095
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0059 0.0035 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.5638 1 1
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.2011 0.3521 0.3498
Toxoplasma gondii aurora kinase 0.0086 0.0083 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0093 0.0095 0.0061
Echinococcus granulosus neuroglian 0.0091 0.0092 0.0057
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0059 0.0035 0.5
Mycobacterium leprae putative cytochrome p450 0.0059 0.0035 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.5638 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0086 0.0083 0.0048
Brugia malayi serine/threonine kinase 12 0.0086 0.0083 0.0048
Schistosoma mansoni cell adhesion molecule 0.0093 0.0095 0.0061
Trichomonas vaginalis CAMK family protein kinase 0.5638 1 1
Brugia malayi Cytochrome P450 family protein 0.0088 0.0087 0.0053
Brugia malayi Cytochrome P450 family protein 0.0187 0.0263 0.0229
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0059 0.0035 0.5
Loa Loa (eye worm) hypothetical protein 0.0101 0.011 0.011
Giardia lamblia Kinase, PLK 0.5638 1 1
Echinococcus granulosus defective proboscis extension response 0.0083 0.0077 0.0043
Schistosoma mansoni serine/threonine protein kinase 0.5638 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.5638 1 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.5638 1 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0059 0.0035 0.5
Trichomonas vaginalis CAMK family protein kinase 0.5638 1 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0059 0.0035 0.5
Loa Loa (eye worm) hypothetical protein 0.0083 0.0077 0.0077
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0059 0.0035 0.5
Schistosoma mansoni protein kinase 0.0086 0.0083 0.0048
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0059 0.0035 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0088 0.0087 1
Loa Loa (eye worm) cytochrome P450 0.0059 0.0035 0.0035
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0059 0.0035 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0088 0.0087 0.0053
Trypanosoma cruzi aurora B kinase, putative 0.0086 0.0083 0.0048
Loa Loa (eye worm) cytochrome P450 family protein 0.0187 0.0263 0.0263
Schistosoma mansoni kinase 0.5277 0.9355 0.9353
Echinococcus multilocularis Immunoglobulin 0.0083 0.0077 0.0043
Loa Loa (eye worm) hypothetical protein 0.0083 0.0077 0.0077
Loa Loa (eye worm) AUR protein kinase 0.0086 0.0083 0.0083
Brugia malayi Fibronectin type III domain containing protein 0.0083 0.0077 0.0043
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0059 0.0035 0.5
Trichomonas vaginalis CAMK family protein kinase 0.5638 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0562 0.0933 0.0902
Loa Loa (eye worm) hypothetical protein 0.0101 0.011 0.011
Trypanosoma brucei cytochrome P450, putative 0.0088 0.0087 0.0053

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.

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