Detailed information for compound 879960

Basic information

Technical information
  • TDR Targets ID: 879960
  • Name: 1-(2-hydroxyethyl-(phenylmethyl)amino)-3-(4-n itrophenoxy)propan-2-ol
  • MW: 346.378 | Formula: C18H22N2O5
  • H donors: 2 H acceptors: 4 LogP: 1.95 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN(Cc1ccccc1)CC(COc1ccc(cc1)[N+](=O)[O-])O
  • InChi: 1S/C18H22N2O5/c21-11-10-19(12-15-4-2-1-3-5-15)13-17(22)14-25-18-8-6-16(7-9-18)20(23)24/h1-9,17,21-22H,10-14H2
  • InChiKey: XMJKPVQQJQLOPM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(benzyl-(2-hydroxyethyl)amino)-3-(4-nitrophenoxy)propan-2-ol

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 glyceraldehyde 3 phosphate dehydrogenase 0.0067 0.4016 0.3937
Brugia malayi phospholipase C homolog 0.0026 0.0853 0.0853
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0067 0.4016 0.3458
Onchocerca volvulus 0.0035 0.1576 0.5
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0016 0.0068 0.0068
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0067 0.4016 1
Brugia malayi TAZ zinc finger family protein 0.0103 0.6828 0.6828
Echinococcus multilocularis 1 phosphatidylinositol 4,5 bisphosphate 0.0035 0.1576 0.1465
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0067 0.4016 1
Onchocerca volvulus 0.0035 0.1576 0.5
Plasmodium vivax ubiquitin activating enzyme, putative 0.0046 0.2414 0.6012
Loa Loa (eye worm) hypothetical protein 0.0047 0.2479 0.2479
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 1 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.2237 0.4726
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0044 0.2238 0.1855
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0067 0.4016 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0044 0.2238 0.5497
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0046 0.2421 0.2421
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0067 0.4016 1
Echinococcus multilocularis CREB binding protein 0.0072 0.4412 0.4339
Echinococcus granulosus CREB binding protein 0.0103 0.6828 0.7106
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.2237 0.5572
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0067 0.4016 0.3458
Brugia malayi Variant SH3 domain containing protein 0.0107 0.7135 0.7135
Loa Loa (eye worm) acetyltransferase 0.0144 1 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.1833 0.4565
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0067 0.4016 1
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0067 0.4016 0.5
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0044 0.2241 0.2239
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0021 0.0463 0.1002
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0067 0.4016 0.3937
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.9557 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.2237 0.5495
Leishmania major phospholipase c-like protein 0.0016 0.0068 0.0169
Loa Loa (eye worm) hypothetical protein 0.0035 0.1576 0.1576
Schistosoma mansoni CREB-binding protein 2 0.0103 0.6828 0.6533
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0067 0.4016 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0067 0.4016 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0067 0.4016 1
Toxoplasma gondii hypothetical protein 0.0046 0.2414 0.5943
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0043 0.219 0.1462
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0046 0.2414 0.2423
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0046 0.2414 0.2315
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0046 0.2414 0.6012
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0067 0.4016 0.4122
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0067 0.4016 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0021 0.0463 0.1002
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0067 0.4016 1
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0016 0.0068 0.0068
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0067 0.4016 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0044 0.2241 0.4737
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0067 0.4016 1
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0067 0.4016 0.4016
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0067 0.4016 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0044 0.2241 0.2241
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0067 0.4016 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0044 0.2241 0.2241
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0044 0.2238 0.5497
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0067 0.4016 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0067 0.4016 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0067 0.4016 0.3458
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0067 0.4016 1
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0023 0.0647 0.5
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0044 0.2238 0.5497
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0046 0.2414 0.1707
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 1 1
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0067 0.4016 0.5
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0044 0.2241 0.2139
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0067 0.4016 1
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0067 0.4016 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0044 0.2241 0.4737
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0023 0.0647 0.5
Loa Loa (eye worm) Plcb4 protein 0.0034 0.1508 0.1508
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0067 0.4016 0.3458
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0107 0.7135 0.7135
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.2237 0.2236
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0021 0.0463 0.1002
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0044 0.2238 0.5574
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0021 0.0463 0.1002
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0067 0.4016 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.1576 0.1576
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0067 0.4016 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0067 0.4016 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.2241 0.2241
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0067 0.4016 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0067 0.4016 1
Brugia malayi glyceraldehyde 3-phosphate dehydrogenase 0.0021 0.0463 0.0463
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0067 0.4016 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.2414 0.2414
Echinococcus granulosus 1-Phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta-4 0.0035 0.1576 0.1534
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0103 0.6828 0.6533
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0067 0.4016 0.5
Schistosoma mansoni phospholipase C beta 0.0034 0.1508 0.0716
Brugia malayi 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase beta 4 0.0034 0.1508 0.1508
Echinococcus granulosus CREB binding protein 0.0065 0.3881 0.398
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0023 0.0644 0.0644
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0067 0.4016 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0046 0.2421 0.2421
Loa Loa (eye worm) CBP-B 0.0073 0.4479 0.4479
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.2237 0.5495
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0067 0.4016 0.4122
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, C-terminal domain, putative 0.0021 0.0463 0.1002
Brugia malayi ThiF family protein 0.0046 0.2414 0.2414
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.2237 0.4726

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.

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