Detailed information for compound 1469312

Basic information

Technical information
  • TDR Targets ID: 1469312
  • Name: 1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethoxyphen yl)methyl]methanamine
  • MW: 317.38 | Formula: C18H23NO4
  • H donors: 1 H acceptors: 0 LogP: 2.67 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CNCc2cc(OC)ccc2OC)cc(c1)OC
  • InChi: 1S/C18H23NO4/c1-20-15-5-6-18(23-4)14(9-15)12-19-11-13-7-16(21-2)10-17(8-13)22-3/h5-10,19H,11-12H2,1-4H3
  • InChiKey: GDSOBXXXSLNMFT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2,5-dimethoxybenzyl)-(3,5-dimethoxybenzyl)amine
  • Oprea1_445577
  • BAS 01124785
  • Oprea1_701594

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
Schistosoma mansoni vesicular amine transporter 0.0076 0.0119 0.0053
Brugia malayi Cytochrome P450 family protein 0.0172 0.035 0.0285
Brugia malayi Fibronectin type III domain containing protein 0.0076 0.0119 0.0053
Loa Loa (eye worm) cytochrome P450 family protein 0.0081 0.0131 0.0131
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.4167 1 1
Trichomonas vaginalis CAMK family protein kinase 0.4167 1 1
Brugia malayi hypothetical protein 0.0076 0.0119 0.0053
Schistosoma mansoni serine/threonine protein kinase 0.0189 0.039 0.0326
Onchocerca volvulus Tyrosine kinase homolog 0.0439 0.0994 0.0038
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0517 0.1183 0.1183
Mycobacterium leprae putative cytochrome p450 0.0054 0.0066 0.5
Trypanosoma brucei aurora B kinase 0.0189 0.039 0.0326
Echinococcus multilocularis neuroglian 0.0084 0.0137 0.0071
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0054 0.0066 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0172 0.035 0.035
Echinococcus granulosus serine:threonine protein kinase PLK1 0.4167 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0119 0.0119
Trichomonas vaginalis CAMK family protein kinase 0.1769 0.4207 0.3972
Loa Loa (eye worm) hypothetical protein 0.0093 0.0159 0.0159
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0054 0.0066 0.5
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0034 0.0016 0.0016
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0054 0.0066 0.5
Schistosoma mansoni protein kinase 0.0189 0.039 0.0326
Loa Loa (eye worm) hypothetical protein 0.0076 0.0119 0.0119
Brugia malayi serine/threonine-protein kinase 6 0.0189 0.039 0.0326
Echinococcus granulosus defective proboscis extension response 0.0076 0.0119 0.0053
Trypanosoma cruzi aurora B kinase, putative 0.0189 0.039 0.0326
Schistosoma mansoni cell adhesion molecule 0.0086 0.0142 0.0076
Loa Loa (eye worm) cytochrome P450 family protein 0.0081 0.0131 0.0131
Loa Loa (eye worm) hypothetical protein 0.0076 0.0119 0.0119
Loa Loa (eye worm) CYP4Cod1 0.0081 0.0131 0.0131
Schistosoma mansoni serine/threonine protein kinase 0.4167 1 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0076 0.0119 0.0053
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0054 0.0066 0.5
Echinococcus granulosus neuroglian 0.0084 0.0137 0.0071
Brugia malayi Cytochrome P450 family protein 0.0081 0.0131 0.0066
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.4167 1 1
Leishmania major protein kinase, putative 0.0189 0.039 0.0326
Echinococcus multilocularis roundabout 2 0.0093 0.0159 0.0094
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0054 0.0066 0.5
Loa Loa (eye worm) hypothetical protein 0.0076 0.0119 0.0119
Trypanosoma cruzi cytochrome P450, putative 0.0081 0.0131 0.0066
Echinococcus granulosus roundabout 2 0.0093 0.0159 0.0094
Loa Loa (eye worm) hypothetical protein 0.0076 0.0119 0.0119
Trichomonas vaginalis CAMK family protein kinase 0.4167 1 1
Loa Loa (eye worm) AUR protein kinase 0.0189 0.039 0.039
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0054 0.0066 0.5
Trypanosoma brucei polo-like protein kinase 0.4167 1 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0054 0.0066 0.5
Brugia malayi serine/threonine kinase 12 0.0189 0.039 0.0326
Brugia malayi Immunoglobulin I-set domain containing protein 0.0076 0.0119 0.0053
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0054 0.0066 0.5
Trichomonas vaginalis CAMK family protein kinase 0.1769 0.4207 0.3972
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0054 0.0066 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.4167 1 1
Schistosoma mansoni nephrin 0.0084 0.0137 0.0071
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.1415 0.3354 0.3309
Loa Loa (eye worm) hypothetical protein 0.0086 0.0142 0.0142
Echinococcus multilocularis aurora kinase A 0.0189 0.039 0.0326
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.4167 1 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0054 0.0066 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0054 0.0066 0.5
Echinococcus multilocularis Immunoglobulin 0.0076 0.0119 0.0053
Brugia malayi serine/threonine protein kinase 6 0.0189 0.039 0.0326
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0054 0.0066 0.5
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0054 0.0066 0.5
Echinococcus granulosus twitchin 0.01 0.0178 0.0112
Loa Loa (eye worm) cytochrome P450 0.0054 0.0066 0.0066
Trichomonas vaginalis CAMK family protein kinase 0.4167 1 1
Trichomonas vaginalis CAMK family protein kinase 0.4167 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.4167 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0054 0.0066 0.5
Echinococcus multilocularis Immunoglobulin 0.0076 0.0119 0.0053
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0054 0.0066 0.5
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0086 0.0142 0.0076
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0054 0.0066 0.5
Trichomonas vaginalis CAMK family protein kinase 0.4167 1 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.0159 0.0159
Loa Loa (eye worm) AUR protein kinase 0.0189 0.039 0.039
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0076 0.0119 0.0053
Loa Loa (eye worm) hypothetical protein 0.0076 0.0119 0.0119
Echinococcus granulosus Immunoglobulin 0.0076 0.0119 0.0053
Brugia malayi Cytochrome P450 family protein 0.0081 0.0131 0.0066
Trypanosoma cruzi cytochrome P450, putative 0.0081 0.0131 0.0066
Schistosoma mansoni kinase 0.3814 0.9147 0.9141
Toxoplasma gondii aurora kinase 0.0189 0.039 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0517 0.1183 0.1125
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0054 0.0066 0.5
Trichomonas vaginalis CAMK family protein kinase 0.4167 1 1
Loa Loa (eye worm) AUR protein kinase 0.0189 0.039 0.039
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0054 0.0066 0.5
Echinococcus granulosus aurora kinase A 0.0189 0.039 0.0326
Entamoeba histolytica serine/threonine protein kinase, putative 0.4167 1 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0054 0.0066 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0054 0.0066 0.5
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.1415 0.3354 0.3309
Trypanosoma cruzi polo-like protein kinase, putative 0.4167 1 1
Trypanosoma brucei cytochrome P450, putative 0.0081 0.0131 0.0066
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0054 0.0066 0.5
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0189 0.039 0.0326
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0189 0.039 0.5
Giardia lamblia Kinase, PLK 0.4167 1 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0076 0.0119 0.0053
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0189 0.039 0.0326
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0081 0.0131 1
Leishmania major cytochrome p450-like protein 0.0081 0.0131 0.0066
Plasmodium falciparum serine/threonine protein kinase, putative 0.0189 0.039 0.5
Trichomonas vaginalis CAMK family protein kinase 0.4167 1 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.
 
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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