Detailed information for compound 1469315

Basic information

Technical information
  • TDR Targets ID: 1469315
  • Name: N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphen yl]methyl]-2-(1H-indol-3-yl)ethanamine
  • MW: 404.477 | Formula: C25H25FN2O2
  • H donors: 2 H acceptors: 0 LogP: 4.91 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1OCc1ccc(cc1)F)CNCCc1c[nH]c2c1cccc2
  • InChi: 1S/C25H25FN2O2/c1-29-24-8-4-5-20(25(24)30-17-18-9-11-21(26)12-10-18)15-27-14-13-19-16-28-23-7-3-2-6-22(19)23/h2-12,16,27-28H,13-15,17H2,1H3
  • InChiKey: JNXNYTVXYJGSGV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[2-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methyl]-2-(1H-indol-3-yl)ethanamine
  • [2-(4-fluorobenzyl)oxy-3-methoxy-benzyl]-[2-(1H-indol-3-yl)ethyl]amine
  • AP-970/42897568

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 roundabout 2 0.0064 0.009 0.0065
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0037 0.0025 0.5
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0037 0.0025 0.5
Echinococcus multilocularis aurora kinase A 0.0079 0.0126 0.0101
Echinococcus multilocularis Immunoglobulin 0.0052 0.0062 0.0037
Brugia malayi Fibronectin type III domain containing protein 0.0052 0.0062 0.0037
Loa Loa (eye worm) AUR protein kinase 0.0079 0.0126 0.0126
Loa Loa (eye worm) AUR protein kinase 0.0079 0.0126 0.0126
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0059 0.0078 0.0053
Trypanosoma cruzi cytochrome P450, putative 0.0056 0.0071 0.0046
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0052 0.0062 0.0037
Brugia malayi Cytochrome P450 family protein 0.0056 0.0071 0.0046
Trichomonas vaginalis CAMK family protein kinase 0.4098 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0062 0.0062
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0037 0.0025 0.5
Echinococcus multilocularis neuroglian 0.0058 0.0074 0.0049
Schistosoma mansoni vesicular amine transporter 0.0052 0.0062 0.0037
Trypanosoma cruzi aurora B kinase, putative 0.0079 0.0126 0.0101
Echinococcus granulosus defective proboscis extension response 0.0052 0.0062 0.0037
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0071 0.0071
Trichomonas vaginalis CAMK family protein kinase 0.4098 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.4098 1 1
Loa Loa (eye worm) AUR protein kinase 0.0079 0.0126 0.0126
Echinococcus multilocularis Immunoglobulin 0.0052 0.0062 0.0037
Brugia malayi Immunoglobulin I-set domain containing protein 0.0356 0.0807 0.0784
Onchocerca volvulus Tyrosine kinase homolog 0.0302 0.0674 0.0026
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0037 0.0025 0.5
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0079 0.0126 0.5
Echinococcus granulosus neuroglian 0.0058 0.0074 0.0049
Brugia malayi serine/threonine-protein kinase 6 0.0079 0.0126 0.0101
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0037 0.0025 0.5
Trichomonas vaginalis CAMK family protein kinase 0.1732 0.4188 0.4114
Brugia malayi Immunoglobulin I-set domain containing protein 0.0052 0.0062 0.0037
Trichomonas vaginalis CAMK family protein kinase 0.4098 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.009 0.009
Trypanosoma cruzi polo-like protein kinase, putative 0.4098 1 1
Brugia malayi hypothetical protein 0.0052 0.0062 0.0037
Schistosoma mansoni serine/threonine protein kinase 0.0079 0.0126 0.0101
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0037 0.0025 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.4098 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0037 0.0025 0.5
Leishmania major protein kinase, putative 0.0079 0.0126 0.0101
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0052 0.0062 0.0037
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0037 0.0025 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0037 0.0025 0.5
Trichomonas vaginalis CAMK family protein kinase 0.1732 0.4188 0.4114
Schistosoma mansoni nephrin 0.0058 0.0074 0.0049
Onchocerca volvulus Serine\/threonine kinase homolog 0.4098 1 1
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.1423 0.3428 0.3412
Loa Loa (eye worm) cytochrome P450 0.0037 0.0025 0.0025
Schistosoma mansoni protein kinase 0.0079 0.0126 0.0101
Loa Loa (eye worm) hypothetical protein 0.0059 0.0078 0.0078
Trichomonas vaginalis CAMK family protein kinase 0.4098 1 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0037 0.0025 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0062 0.0062
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0056 0.0071 1
Trichomonas vaginalis CAMK family protein kinase 0.4098 1 1
Echinococcus granulosus roundabout 2 0.0064 0.009 0.0065
Brugia malayi serine/threonine protein kinase 6 0.0079 0.0126 0.0101
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0037 0.0025 0.5
Leishmania major cytochrome p450-like protein 0.0056 0.0071 0.0046
Loa Loa (eye worm) hypothetical protein 0.0052 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0064 0.009 0.009
Echinococcus granulosus aurora kinase A 0.0079 0.0126 0.0101
Loa Loa (eye worm) hypothetical protein 0.0052 0.0062 0.0062
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0052 0.0062 0.0037
Loa Loa (eye worm) CYP4Cod1 0.0056 0.0071 0.0071
Echinococcus granulosus Immunoglobulin 0.0052 0.0062 0.0037
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0071 0.0071
Schistosoma mansoni kinase 0.3788 0.924 0.9238
Loa Loa (eye worm) cytochrome P450 family protein 0.0118 0.0223 0.0223
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0356 0.0807 0.0807
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0037 0.0025 0.5
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.4098 1 1
Trypanosoma brucei aurora B kinase 0.0079 0.0126 0.0101
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0037 0.0025 0.5
Echinococcus granulosus twitchin 0.0073 0.0113 0.0088
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0037 0.0025 0.5
Mycobacterium leprae putative cytochrome p450 0.0037 0.0025 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.4098 1 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.4098 1 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.4098 1 1
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0037 0.0025 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0062 0.0062
Schistosoma mansoni cell adhesion molecule 0.0059 0.0078 0.0053
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0037 0.0025 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0037 0.0025 0.5
Trichomonas vaginalis CAMK family protein kinase 0.4098 1 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0037 0.0025 0.5
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0079 0.0126 0.0101
Brugia malayi Cytochrome P450 family protein 0.0118 0.0223 0.0199
Loa Loa (eye worm) hypothetical protein 0.0052 0.0062 0.0062
Schistosoma mansoni serine/threonine protein kinase 0.4098 1 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0079 0.0126 0.5
Brugia malayi Cytochrome P450 family protein 0.0056 0.0071 0.0046
Trypanosoma brucei cytochrome P450, putative 0.0056 0.0071 0.0046
Trypanosoma brucei polo-like protein kinase 0.4098 1 1
Brugia malayi serine/threonine kinase 12 0.0079 0.0126 0.0101
Toxoplasma gondii aurora kinase 0.0079 0.0126 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0037 0.0025 0.5
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0079 0.0126 0.0101
Trichomonas vaginalis CAMK family protein kinase 0.4098 1 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0037 0.0025 0.5
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0037 0.0025 0.5
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.1423 0.3428 0.3412
Giardia lamblia Kinase, PLK 0.4098 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0056 0.0071 0.0046

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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