Detailed information for compound 431650

Basic information

Technical information
  • TDR Targets ID: 431650
  • Name: 2-[4-[(4-methoxyphenyl)methyl]phenoxy]-N,N-di methylethanamine
  • MW: 285.381 | Formula: C18H23NO2
  • H donors: 0 H acceptors: 0 LogP: 3.82 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)Cc1ccc(cc1)OCCN(C)C
  • InChi: 1S/C18H23NO2/c1-19(2)12-13-21-18-10-6-16(7-11-18)14-15-4-8-17(20-3)9-5-15/h4-11H,12-14H2,1-3H3
  • InChiKey: JFJWARJIRGNQCL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-[(4-methoxyphenyl)methyl]phenoxy]-N,N-dimethyl-ethanamine
  • dimethyl-[2-(4-p-anisylphenoxy)ethyl]amine
  • 2-[4-(4-methoxybenzyl)phenoxy]ethyl-dimethyl-amine
  • AIDS-439398
  • AIDS439398
  • Ethanamine, 2-[4-[(4-methoxyphenyl)methyl]phenoxy]-N,N-dimethyl-

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
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0656 1 1
Trypanosoma brucei rhodanese-like domain containing protein, putative 0.0051 0 0.5
Trichomonas vaginalis cdc25b, putative 0.0656 1 1
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.0051 0 0.5
Schistosoma mansoni tyrosine kinase 0.0064 0.0204 0.0204
Schistosoma mansoni tyrosine kinase 0.0064 0.0204 0.0204
Trichomonas vaginalis cdc25c, putative 0.0656 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0051 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0051 0 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0051 0 0.5
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0279 0.3767 0.3767
Trypanosoma brucei rhodanese-like domain containing protein, putative 0.0051 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0604 0.9153 0.9153
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0656 1 1
Brugia malayi Protein kinase domain containing protein 0.0142 0.1506 0.1506
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0656 1 1
Mycobacterium ulcerans thiosulfate sulfurtransferase, CysA2 0.0051 0 0.5
Trypanosoma cruzi mercaptopyruvate sulfurtransferase, putative 0.0051 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0656 1 1
Onchocerca volvulus 0.0656 1 1
Echinococcus granulosus insulin receptor 0.0142 0.1506 0.1506
Trypanosoma cruzi rhodanese-like domain containing protein, putative 0.0051 0 0.5
Trypanosoma cruzi rhodanese-like domain containing protein, putative 0.0051 0 0.5
Mycobacterium tuberculosis Conserved protein 0.0051 0 0.5
Trypanosoma cruzi rhodanese-like domain containing protein, putative 0.0051 0 0.5
Brugia malayi Furin-like cysteine rich region family protein 0.0065 0.0223 0.0223
Giardia lamblia Thiosulfate sulfurtransferase 0.0051 0 0.5
Trichomonas vaginalis cdc25b, putative 0.0656 1 1
Giardia lamblia Dual specificity phosphatase Cdc25, putative 0.0051 0 0.5
Plasmodium vivax mitogen-activated protein kinase phosphatase 1, putative 0.0051 0 0.5
Mycobacterium ulcerans molybdopterin biosynthesis-like protein MoeZ 0.0051 0 0.5
Trypanosoma cruzi As/Sb Reductase, putative 0.0051 0 0.5
Trypanosoma brucei rhodanese-like domain containing protein, putative 0.0051 0 0.5
Trypanosoma brucei rhodanese-like domain containing protein, putative 0.0051 0 0.5
Schistosoma mansoni tyrosine kinase 0.0142 0.1506 0.1506
Schistosoma mansoni tyrosine kinase 0.0065 0.0223 0.0223
Schistosoma mansoni tyrosine kinase 0.0065 0.0223 0.0223
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0142 0.1506 0.1506
Entamoeba histolytica rodhanase-like domain containing protein 0.0656 1 1
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0656 1 1
Brugia malayi hypothetical protein 0.0128 0.1274 0.1274
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0656 1 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0279 0.3767 0.3767
Trypanosoma cruzi rhodanese-like domain containing protein, putative 0.0051 0 0.5
Echinococcus granulosus leukotriene A 4 hydrolase 0.0279 0.3767 0.3767
Leishmania major As/Sb Reductase 0.0051 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0051 0 0.5
Leishmania major 3-mercaptopyruvate sulfurtransferase 0.0051 0 0.5
Mycobacterium ulcerans thiosulfate sulfurtransferase SseA 0.0051 0 0.5
Chlamydia trachomatis hypothetical protein 0.0051 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.0436 0.0436
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0656 1 1
Entamoeba histolytica rodhanase-like domain containing protein 0.0656 1 1
Leishmania major hypothetical protein, conserved 0.0051 0 0.5
Mycobacterium tuberculosis Probable thiosulfate sulfurtransferase CysA3 (rhodanese-like protein) (thiosulfate cyanide transsulfurase) (thiosulfate thiotran 0.0051 0 0.5
Mycobacterium tuberculosis Probable thiosulfate sulfurtransferase SseB 0.0051 0 0.5
Trypanosoma cruzi rhodanese-like domain containing protein, putative 0.0051 0 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0065 0.0223 0.0223
Plasmodium vivax rhodanese like protein, putative 0.0051 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0604 0.9153 0.9153
Onchocerca volvulus 0.0656 1 1
Brugia malayi Rhodanese-like domain containing protein 0.0656 1 1
Trypanosoma cruzi rhodanese-like domain containing protein, putative 0.0051 0 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0142 0.1506 0.1506
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0656 1 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0065 0.0223 0.0223
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0656 1 1
Mycobacterium leprae Probable thiosulfate sulfurtransferase SseA (RHODANESE) (THIOSULFATE CYANIDE TRANSSULFURASE) (THIOSULFATE THIOTRANSFERASE) 0.0051 0 0.5
Mycobacterium tuberculosis Probable molybdenum cofactor biosynthesis protein MoeB2 (MPT-synthase sulfurylase) (molybdopterin synthase sulphurylase) 0.0051 0 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.0065 0.0223 0.0223
Mycobacterium tuberculosis Probable thiosulfate sulfurtransferase SseA (rhodanese) (thiosulfate cyanide transsulfurase) (thiosulfate thiotransferase) 0.0051 0 0.5
Toxoplasma gondii rhodanese family domain-containing protein 0.0051 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0051 0 0.5
Giardia lamblia Hypothetical protein 0.0051 0 0.5
Mycobacterium tuberculosis Probable thiosulfate sulfurtransferase CysA2 (rhodanese-like protein) (thiosulfate cyanide transsulfurase) (thiosulfate thiotran 0.0051 0 0.5
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0279 0.3767 0.3767
Echinococcus granulosus epidermal growth factor receptor 0.0065 0.0223 0.0223
Leishmania major hypothetical protein, conserved 0.0051 0 0.5
Giardia lamblia Hypothetical protein 0.0051 0 0.5
Mycobacterium tuberculosis Possible transcriptional regulatory protein (possibly ArsR-family) 0.0051 0 0.5
Trypanosoma brucei mercaptopyruvate sulfurtransferase, putative 0.0051 0 0.5
Plasmodium falciparum rhodanese like protein, putative 0.0051 0 0.5
Schistosoma mansoni tyrosine kinase 0.0142 0.1506 0.1506
Entamoeba histolytica rodhanase-like domain containing protein 0.0656 1 1
Trypanosoma cruzi rhodanese-like domain containing protein, putative 0.0051 0 0.5
Schistosoma mansoni tyrosine kinase 0.0064 0.0204 0.0204
Mycobacterium leprae PROBABLE THIOSULFATE SULFURTRANSFERASE CYSA2 (RHODANESE-LIKE PROTEIN) (THIOSULFATE CYANIDE TRANSSULFURASE) (THIOSULFATE THIOTRAN 0.0051 0 0.5
Plasmodium falciparum mitogen-activated protein kinase phosphatase 1, putative 0.0051 0 0.5
Trypanosoma cruzi rhodanese-like domain containing protein, putative 0.0051 0 0.5
Schistosoma mansoni tyrosine kinase 0.0065 0.0223 0.0223
Echinococcus multilocularis insulin receptor 0.0142 0.1506 0.1506
Loa Loa (eye worm) hypothetical protein 0.0656 1 1
Trypanosoma cruzi As/Sb Reductase, putative 0.0051 0 0.5
Leishmania major hypothetical protein, unknown function 0.0051 0 0.5
Trypanosoma cruzi rhodanese-like domain containing protein, putative 0.0051 0 0.5
Mycobacterium leprae PROBABLE MOLYBDENUM COFACTOR BIOSYNTHESIS PROTEIN MOEB1 (MPT-SYNTHASE SULFURYLASE) (MOLYBDOPTERIN SYNTHASE SULPHURYLASE) 0.0051 0 0.5
Onchocerca volvulus 0.0656 1 1
Leishmania major hypothetical protein, conserved 0.0051 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0079 0.0455 0.0455
Leishmania major hypothetical protein, conserved 0.0051 0 0.5
Onchocerca volvulus 0.0656 1 1
Leishmania major hypothetical protein, conserved 0.0051 0 0.5
Wolbachia endosymbiont of Brugia malayi sulfurtransferase 0.0051 0 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.0065 0.0223 0.0223
Loa Loa (eye worm) TK/EGFR protein kinase 0.0065 0.0223 0.0223
Loa Loa (eye worm) TK/INSR protein kinase 0.0142 0.1506 0.1506
Leishmania major hypothetical protein, conserved 0.0051 0 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) 0 Antitubercular activity against Mycobacterium tuberculosis H37Rv by BACTEC method ChEMBL. 17112639
MIC (functional) > 25 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by MABA assay ChEMBL. 17112639
MIC (functional) > 25 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by microdilution method ChEMBL. 17112639
MIC (functional) > 25 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by MABA assay ChEMBL. 17112639
MIC (functional) > 25 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by microdilution method ChEMBL. 17112639

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.