Detailed information for compound 767523

Basic information

Technical information
  • TDR Targets ID: 767523
  • Name: 2,6-dimethoxy-4-[[4-[(4-nitrophenyl)methyl]pi perazin-1-yl]methyl]phenol
  • MW: 387.43 | Formula: C20H25N3O5
  • H donors: 1 H acceptors: 3 LogP: 2.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CN2CCN(CC2)Cc2ccc(cc2)[N+](=O)[O-])cc(c1O)OC
  • InChi: 1S/C20H25N3O5/c1-27-18-11-16(12-19(28-2)20(18)24)14-22-9-7-21(8-10-22)13-15-3-5-17(6-4-15)23(25)26/h3-6,11-12,24H,7-10,13-14H2,1-2H3
  • InChiKey: QYBSQGCHCHMSIZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,6-dimethoxy-4-[[4-[(4-nitrophenyl)methyl]-1-piperazinyl]methyl]phenol
  • 2,6-dimethoxy-4-[[4-(4-nitrobenzyl)piperazin-1-yl]methyl]phenol
  • Oprea1_571397
  • STK194371

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 hypothetical protein 0.0047 0.0402 0.0527
Schistosoma mansoni hypothetical protein 0.0571 0.7102 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0308 0.0279
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0308 0.0799
Echinococcus granulosus histone acetyltransferase KAT2B 0.0318 0.3864 0.3846
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0976 0.2721
Loa Loa (eye worm) hypothetical protein 0.0798 1 1
Echinococcus granulosus geminin 0.0571 0.7102 0.7093
Loa Loa (eye worm) hypothetical protein 0.0798 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0308 0.0433
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0113 0.0875
Echinococcus granulosus Niemann Pick C1 protein 0.0164 0.1893 0.1869
Brugia malayi O-methyltransferase 0.006 0.0565 0.0565
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.0976 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0096 0.1026 0.2866
Echinococcus granulosus muscleblind protein 0.0798 1 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0117 0.1286 0.1776
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.3506 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0049 0.0425 0.0396
Mycobacterium tuberculosis Probable methyltransferase 0.006 0.0565 0.0835
Echinococcus granulosus histone acetyltransferase KAT2B 0.0096 0.1026 0.0999
Echinococcus multilocularis muscleblind protein 1 0.0798 1 1
Echinococcus granulosus Niemann Pick C1 protein 0.0115 0.1263 0.1237
Schistosoma mansoni hypothetical protein 0.0047 0.0402 0.0527
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0976 0.2721
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.029 0.3506 1
Schistosoma mansoni hypothetical protein 0.0571 0.7102 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0308 0.0308
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.3506 1
Leishmania major hypothetical protein, conserved 0.0025 0.0113 0.0875
Brugia malayi CHE-14 protein 0.0049 0.0425 0.0425
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.3506 1
Wolbachia endosymbiont of Brugia malayi O-methyltransferase 0.006 0.0565 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.0976 0.2721
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0308 0.0799
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0308 0.0433
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0308 0.2938
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.3506 1
Giardia lamblia Kinase, PLK 0.0092 0.0976 0.2721
Loa Loa (eye worm) hypothetical protein 0.0049 0.0425 0.0396
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0976 0.2721
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0308 0.0433
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.0976 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.0976 0.0976
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0976 0.2721
Mycobacterium ulcerans O-methyltransferase 0.058 0.7216 1
Toxoplasma gondii ABC1 family protein 0.004 0.0308 0.2789
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0308 0.0393
Loa Loa (eye worm) hypothetical protein 0.004 0.0308 0.0279
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0113 0.0875
Brugia malayi hypothetical protein 0.0025 0.0113 0.0113
Echinococcus multilocularis muscleblind protein 0.0798 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.0976 1
Echinococcus granulosus expressed conserved protein 0.0108 0.1174 0.1147
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.3506 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.3506 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0308 0.0279
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0115 0.1263 0.3547
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0976 0.2721
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0976 0.2721
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0096 0.1026 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.3506 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0113 0.083
Plasmodium falciparum histone acetyltransferase GCN5 0.0088 0.0924 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0096 0.1026 0.2866
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.3506 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0096 0.1026 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0567 0.0539
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0425 0.1137
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0308 0.0433
Brugia malayi O-methyltransferase family protein 0.006 0.0565 0.0565
Mycobacterium tuberculosis Conserved protein 0.004 0.0308 0.0433
Echinococcus multilocularis Niemann Pick C1 protein 0.0164 0.1893 0.1869
Mycobacterium tuberculosis Conserved protein 0.004 0.0308 0.0433
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0379 0.1006
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.1608 0.246
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0308 0.0433
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.003 0.003
Schistosoma mansoni o-methyltransferase 0.006 0.0565 0.0757
Entamoeba histolytica acetyltransferase, GNAT family 0.0088 0.0924 0.2571
Trichomonas vaginalis esterase, putative 0.004 0.0308 0.0799
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0976 0.2721
Leishmania major hypothetical protein, conserved 0.004 0.0308 0.2938
Plasmodium vivax hypothetical protein, conserved 0.004 0.0308 0.2789
Brugia malayi acetyltransferase, GNAT family protein 0.0327 0.3981 0.3981
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0256 0.307 0.4739
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0308 0.2938
Trypanosoma brucei polo-like protein kinase 0.0092 0.0976 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0308 0.0279
Loa Loa (eye worm) O-methyltransferase 0.006 0.0565 0.0537
Loa Loa (eye worm) beta-lactamase 0.004 0.0308 0.0279
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0308 0.0393
Giardia lamblia Histone acetyltransferase GCN5 0.0088 0.0924 0.2571
Mycobacterium ulcerans methyltransferase 0.006 0.0565 0.0745
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0308 0.2938
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0308 0.0799
Echinococcus multilocularis protein patched 0.0049 0.0425 0.0396
Loa Loa (eye worm) hypothetical protein 0.0115 0.1263 0.1237
Schistosoma mansoni patched 1 0.0049 0.0425 0.0559
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0113 0.0926
Mycobacterium leprae PROBABLE METHYLTRANSFERASE 0.006 0.0565 0.1981
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0379 0.1006
Echinococcus multilocularis Niemann Pick C1 protein 0.0115 0.1263 0.1237
Loa Loa (eye worm) hypothetical protein 0.006 0.0565 0.0537
Brugia malayi beta-lactamase 0.004 0.0308 0.0308
Loa Loa (eye worm) hypothetical protein 0.004 0.0308 0.0279
Mycobacterium ulcerans lipase LipD 0.004 0.0308 0.0387
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.1608 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0113 0.0083
Brugia malayi O-methyltransferase family protein 0.006 0.0565 0.0565
Onchocerca volvulus 0.006 0.0565 0.3857
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.0976 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0096 0.1026 1
Schistosoma mansoni hypothetical protein 0.0047 0.0402 0.0527
Echinococcus multilocularis geminin 0.0571 0.7102 0.7093
Giardia lamblia Fructose-bisphosphate aldolase 0.029 0.3506 1
Schistosoma mansoni hypothetical protein 0.0047 0.0402 0.0527
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.0976 0.0949
Loa Loa (eye worm) hypothetical protein 0.004 0.0308 0.0279
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0308 0.0799
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0327 0.3981 0.5588
Echinococcus granulosus sterol regulatory element binding protein 0.0049 0.0425 0.0396
Echinococcus multilocularis expressed conserved protein 0.0108 0.1174 0.1147
Schistosoma mansoni o-methyltransferase 0.006 0.0565 0.0757
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0308 0.0387
Mycobacterium tuberculosis Conserved protein 0.004 0.0308 0.0433
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0308 0.0387
Brugia malayi beta-lactamase family protein 0.004 0.0308 0.0308
Brugia malayi Niemann-Pick C1 protein precursor 0.0115 0.1263 0.1263
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0113 0.083
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0308 0.0799
Schistosoma mansoni o-methyltransferase 0.006 0.0565 0.0757
Treponema pallidum fructose-bisphosphate aldolase 0.029 0.3506 1
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.0976 0.1337
Schistosoma mansoni o-methyltransferase 0.006 0.0565 0.0757
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0308 0.0433
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0113 0.0875
Loa Loa (eye worm) hypothetical protein 0.004 0.0308 0.0279
Brugia malayi beta-lactamase family protein 0.004 0.0308 0.0308
Mycobacterium tuberculosis Probable catechol-O-methyltransferase 0.052 0.6446 1
Mycobacterium ulcerans beta-lactamase 0.004 0.0308 0.0387
Onchocerca volvulus 0.006 0.0565 0.3857
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.0976 0.0949
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0113 0.0926
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0308 0.0279
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0308 0.0279
Echinococcus multilocularis protein dispatched 1 0.0056 0.0514 0.0486
Echinococcus granulosus Protein patched homolog 1 0.0049 0.0425 0.0396
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0327 0.3981 0.3963
Brugia malayi O-methyltransferase family protein 0.006 0.0565 0.0565
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.0976 0.0949
Mycobacterium ulcerans hypothetical protein 0.004 0.0308 0.0387
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.1608 0.2196
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0308 0.0433
Schistosoma mansoni kinase 0.0047 0.0395 0.0517
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0049 0.0425 0.0396
Loa Loa (eye worm) acetyltransferase 0.0327 0.3981 0.3963
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.029 0.3506 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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