Detailed information for compound 936532

Basic information

Technical information
  • TDR Targets ID: 936532
  • Name: 1-[4-[(6-chloropyridin-3-yl)methoxy]-3-methox yphenyl]-N-(phenylmethyl)methanamine
  • MW: 368.857 | Formula: C21H21ClN2O2
  • H donors: 1 H acceptors: 1 LogP: 4.11 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CNCc2ccccc2)ccc1OCc1ccc(nc1)Cl
  • InChi: 1S/C21H21ClN2O2/c1-25-20-11-17(13-23-12-16-5-3-2-4-6-16)7-9-19(20)26-15-18-8-10-21(22)24-14-18/h2-11,14,23H,12-13,15H2,1H3
  • InChiKey: ZTDKAMQXSGUXEC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]-N-(phenylmethyl)methanamine
  • 1-[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxyphenyl]-N-(phenylmethyl)methanamine
  • benzyl-[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]amine
  • 1-[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxy-phenyl]-N-(phenylmethyl)methanamine
  • AN-465/42889842
  • N-benzyl-N-{4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxybenzyl}amine
  • STK281322

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
Plasmodium falciparum lysophospholipase, putative 0.1029 0.2328 1
Echinococcus granulosus maspardin 0.0054 0.0103 0.0382
Loa Loa (eye worm) hypothetical protein 0.0061 0.0118 0.0246
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.004 0.0071 0.0265
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0143 0.0306 0.0205
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0118 0.0068
Trypanosoma brucei Serine peptidase, Clan SC, Family S09X 0.0061 0.0118 0.0068
Onchocerca volvulus Alpha\/beta hydrolase2 homolog 0.0054 0.0103 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0143 0.0306 0.1138
Mycobacterium ulcerans hypothetical protein 0.0061 0.0118 0.0015
Loa Loa (eye worm) CCG1-interacting factor B 0.0054 0.0103 0.0189
Brugia malayi SRC-1 0.004 0.0071 0.0265
Echinococcus multilocularis abhydrolase domain containing 3 0.0061 0.0118 0.0438
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0061 0.0118 1
Toxoplasma gondii protein c14orf29, putative 0.0061 0.0118 1
Mycobacterium tuberculosis Possible lysophospholipase 0.1083 0.2451 0.2373
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0035 0.006 0.0222
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0061 0.0118 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0118 0.0068
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0143 0.0306 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.004 0.0071 0.0265
Echinococcus multilocularis tyrosine protein kinase Srms 0.0036 0.0062 0.0232
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0061 0.0118 0.0438
Trypanosoma cruzi monoglyceride lipase, putative 0.1029 0.2328 1
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0118 0.0068
Leishmania major hypothetical protein, conserved 0.0061 0.0118 0.0068
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0143 0.0306 0.0205
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0118 0.0068
Plasmodium vivax PST-A protein 0.1029 0.2328 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0061 0.0118 0.0068
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0061 0.0118 0.0068
Loa Loa (eye worm) TK protein kinase 0.0036 0.0062 0.0035
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0061 0.0118 0.0068
Echinococcus granulosus abhydrolase domain containing 3 0.0061 0.0118 0.0438
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.1029 0.2328 1
Entamoeba histolytica hypothetical protein 0.0061 0.0118 0.0285
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1029 0.2328 1
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0061 0.0118 0.0068
Leishmania major monoglyceride lipase, putative 0.1029 0.2328 1
Trypanosoma cruzi amidase, putative 0.0143 0.0306 0.0913
Schistosoma mansoni protein phosphatase methylesterase 1 (S33 family) 0.0054 0.0103 0.0382
Echinococcus granulosus tyrosine kinase 0.0036 0.0062 0.0232
Echinococcus multilocularis tyrosine protein kinase Blk 0.0036 0.0062 0.0232
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0118 0.0068
Echinococcus granulosus tyrosine protein kinase Blk 0.0036 0.0062 0.0232
Onchocerca volvulus Valacyclovir hydrolase homolog 0.0054 0.0103 0.5
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.0061 0.0118 0.0068
Trypanosoma cruzi serine peptidase, putative 0.0061 0.0118 0.0068
Echinococcus multilocularis protein phosphatase methylesterase 1 0.0054 0.0103 0.0382
Echinococcus multilocularis tyrosine protein kinase HCK 0.0032 0.0053 0.0197
Loa Loa (eye worm) hypothetical protein 0.0061 0.0118 0.0246
Echinococcus granulosus monoacylglycerol lipase abhd12 0.0061 0.0118 0.0438
Onchocerca volvulus Putative protein phosphatase methylesterase 1 0.0054 0.0103 0.5
Loa Loa (eye worm) hypothetical protein 0.0061 0.0118 0.0246
Mycobacterium ulcerans peptide amidase, GatA 0.0143 0.0306 0.0205
Schistosoma mansoni tyrosine kinase 0.004 0.0071 0.0265
Echinococcus multilocularis tyrosine protein kinase Fgr 0.004 0.0071 0.0265
Mycobacterium ulcerans hydrolase 0.0061 0.0118 0.0015
Mycobacterium ulcerans lysophospholipase 0.1029 0.2328 0.2248
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0071 0.0265
Trypanosoma cruzi Serine peptidase, Clan SC, Family S09X, putative 0.0061 0.0118 0.0068
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1029 0.2328 1
Schistosoma mansoni peptidase 0.0061 0.0118 0.0438
Loa Loa (eye worm) amidase 0.0143 0.0306 0.096
Leishmania major Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X 0.0061 0.0118 0.0068
Entamoeba histolytica ;Alias 0.0061 0.0118 0.0285
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.004 0.0071 0.0265
Leishmania major hypothetical protein, conserved 0.0143 0.0306 0.0913
Brugia malayi hydrolase, alpha/beta fold family protein 0.0054 0.0103 0.0382
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0143 0.0306 0.0865
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0061 0.0118 0.0285
Trypanosoma cruzi amidase, putative 0.0143 0.0306 0.0913
Trypanosoma cruzi serine peptidase, putative 0.0061 0.0118 0.0068
Onchocerca volvulus 0.0054 0.0103 0.5
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0061 0.0118 0.0068
Brugia malayi CCG1-interacting factor B 0.0054 0.0103 0.0382
Brugia malayi Amidase family protein 0.0143 0.0306 0.1138
Echinococcus granulosus protein phosphatase methylesterase 1 0.0054 0.0103 0.0382
Mycobacterium ulcerans amidase 0.0143 0.0306 0.0205
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0036 0.0062 0.0232
Schistosoma mansoni fatty-acid amide hydrolase 0.1186 0.2686 1
Brugia malayi MGC83647 protein 0.0061 0.0118 0.0438
Brugia malayi Protein C20orf22 0.0061 0.0118 0.0438
Trichomonas vaginalis conserved hypothetical protein 0.1029 0.2328 1
Echinococcus granulosus abhydrolase domain containing protein 8 0.0054 0.0103 0.0382
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.0071 0.0265
Loa Loa (eye worm) hypothetical protein 0.0061 0.0118 0.0246
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0061 0.0118 0.0068
Toxoplasma gondii hypothetical protein 0.0061 0.0118 1
Echinococcus multilocularis abhydrolase domain containing protein 13 0.0054 0.0103 0.0382
Mycobacterium ulcerans amidase 0.0143 0.0306 0.0205
Mycobacterium ulcerans hypothetical protein 0.0061 0.0118 0.0015
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1029 0.2328 1
Mycobacterium ulcerans amidase 0.0143 0.0306 0.0205
Onchocerca volvulus 0.0054 0.0103 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1029 0.2328 1
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0118 0.0068
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0143 0.0306 0.1138
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.4392 1 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.004 0.0071 0.0265
Brugia malayi Amidase family protein 0.0143 0.0306 0.1138
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.1029 0.2328 1
Loa Loa (eye worm) protein phosphatase methylesterase 1 0.0054 0.0103 0.0189
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0143 0.0306 0.1138
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.004 0.0071 0.0265
Giardia lamblia Cgi67 serine protease precursor-like protein 0.0061 0.0118 1
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0143 0.0306 0.0865
Plasmodium falciparum esterase, putative 0.1029 0.2328 1
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0143 0.0306 0.0205
Loa Loa (eye worm) amidase 0.0143 0.0306 0.096
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0143 0.0306 0.0205
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0143 0.0306 0.0205
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0143 0.0306 0.0913
Leishmania major hypothetical protein, conserved 0.0061 0.0118 0.0068
Echinococcus multilocularis maspardin 0.0054 0.0103 0.0382
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0036 0.0062 0.0232
Echinococcus granulosus tyrosine protein kinase Fyn 0.004 0.0071 0.0265
Loa Loa (eye worm) hypothetical protein 0.1186 0.2686 1
Echinococcus granulosus abhydrolase domain containing protein 13 0.0061 0.0118 0.0438
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.0061 0.0118 1
Mycobacterium ulcerans amidase 0.0143 0.0306 0.0205
Echinococcus multilocularis Phospholipase carboxylesterase 0.0061 0.0118 0.0438
Toxoplasma gondii phospholipase 0.0061 0.0118 1
Toxoplasma gondii phospholipase/carboxylesterase 0.0061 0.0118 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0071 0.0265
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.0061 0.0118 0.0438
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0061 0.0118 0.0068
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0061 0.0118 0.0068
Echinococcus granulosus tyrosine protein kinase HCK 0.0032 0.0053 0.0197
Entamoeba histolytica hypothetical protein 0.0061 0.0118 0.0285
Mycobacterium tuberculosis Conserved hypothetical protein 0.0061 0.0118 0.0015
Schistosoma mansoni fatty-acid amide hydrolase 0.0143 0.0306 0.1138
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.0061 0.0118 0.0068
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.0061 0.0118 0.0068
Plasmodium falciparum lysophospholipase, putative 0.1029 0.2328 1
Brugia malayi protein-tyrosine kinase 0.0036 0.0062 0.0232
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0061 0.0118 0.0068
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0143 0.0306 0.1138
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0143 0.0306 0.0851
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0061 0.0118 0.0068
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.1029 0.2328 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1186 0.2686 1
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0118 0.0068
Plasmodium falciparum lysophospholipase, putative 0.1029 0.2328 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.0071 0.0265
Mycobacterium ulcerans amidase 0.0143 0.0306 0.0205
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0071 0.0265
Brugia malayi putative amidase 0.0143 0.0306 0.1138
Brugia malayi MGC79044 protein 0.0061 0.0118 0.0438
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0118 0.0068
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0143 0.0306 0.1138
Echinococcus multilocularis fatty acid amide hydrolase 1 0.1186 0.2686 1
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0143 0.0306 0.0205
Trichomonas vaginalis valacyclovir hydrolase, putative 0.1029 0.2328 1
Loa Loa (eye worm) SRC-1 0.004 0.0071 0.0069
Echinococcus granulosus fatty acid amide hydrolase 1 0.1186 0.2686 1
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.0061 0.0118 1
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.0061 0.0118 0.0438
Toxoplasma gondii hypothetical protein 0.0061 0.0118 1
Brugia malayi protein phosphatase methylesterase 1 0.0054 0.0103 0.0382
Toxoplasma gondii peptidase S15, putative 0.0061 0.0118 1
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0143 0.0306 0.0851
Schistosoma mansoni amidase 0.1186 0.2686 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.004 0.0071 0.0265
Echinococcus granulosus fatty acid amide hydrolase 1 0.1186 0.2686 1
Brugia malayi amidase 0.1186 0.2686 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0035 0.006 0.0222
Echinococcus granulosus Phospholipase carboxylesterase 0.0061 0.0118 0.0438
Toxoplasma gondii hypothetical protein 0.0061 0.0118 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.004 0.0071 0.0265
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0118 0.0068
Trypanosoma brucei monoglyceride lipase, putative 0.1029 0.2328 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.004 0.0071 0.0265
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.004 0.0071 0.0265
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0143 0.0306 0.5
Mycobacterium ulcerans hypothetical protein 0.1029 0.2328 0.2248
Echinococcus granulosus tyrosine protein kinase Fyn 0.004 0.0071 0.0265
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.1083 0.2451 1
Trypanosoma brucei monoglyceride lipase, putative 0.1029 0.2328 1
Echinococcus multilocularis abhydrolase domain containing protein 8 0.0054 0.0103 0.0382
Toxoplasma gondii hypothetical protein 0.0061 0.0118 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0143 0.0306 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0061 0.0118 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.1029 0.2328 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0118 0.0246
Schistosoma mansoni tyrosine kinase 0.004 0.0071 0.0265

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 90 uM Antiproliferative activity against human HeLa cells assessed as growth inhibition after 24 to 72 hrs ChEMBL. 25304894

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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