Detailed information for compound 708321

Basic information

Technical information
  • TDR Targets ID: 708321
  • Name: N-[2-[(2-nitrophenyl)amino]ethyl]-4-propan-2- yloxybenzamide
  • MW: 343.377 | Formula: C18H21N3O4
  • H donors: 2 H acceptors: 3 LogP: 4.03 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Oc1ccc(cc1)C(=O)NCCNc1ccccc1[N+](=O)[O-])C
  • InChi: 1S/C18H21N3O4/c1-13(2)25-15-9-7-14(8-10-15)18(22)20-12-11-19-16-5-3-4-6-17(16)21(23)24/h3-10,13,19H,11-12H2,1-2H3,(H,20,22)
  • InChiKey: IFASRRLSEDVJNX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-isopropoxy-N-[2-[(2-nitrophenyl)amino]ethyl]benzamide
  • N-[2-[(2-nitrophenyl)amino]ethyl]-4-propan-2-yloxy-benzamide
  • ZINC04740963
  • STK206052

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
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0274 0.197
Brugia malayi amidase 0.0099 0.1313 0.1274
Schistosoma mansoni hypothetical protein 0.0167 0.2547 0.4121
Echinococcus granulosus fatty acid amide hydrolase 1 0.0099 0.1313 0.2089
Toxoplasma gondii heat shock protein HSP90 0.0045 0.0342 0.1153
Schistosoma mansoni heat shock protein 0.0045 0.0342 0.049
Loa Loa (eye worm) CBP-B 0.0364 0.6116 0.6098
Loa Loa (eye worm) hypothetical protein 0.0039 0.0221 0.0177
Plasmodium falciparum heat shock protein 90, putative 0.0171 0.2622 0.5559
Schistosoma mansoni heat shock protein 0.003 0.0068 0.0038
Schistosoma mansoni heat shock protein 0.0045 0.0342 0.049
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0081 0.0986 0.1551
Trichomonas vaginalis heat shock protein, putative 0.0033 0.0118 0.025
Mycobacterium ulcerans hypothetical protein 0.0287 0.4717 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.121 0.2456
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0287 0.4717 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0287 0.4717 1
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0292 0.0619
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0018 0.0038
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0221 0.047
Echinococcus granulosus chromobox protein 1 0.0069 0.0767 0.119
Loa Loa (eye worm) hypothetical protein 0.0081 0.0986 0.0946
Schistosoma mansoni hypothetical protein 0.0081 0.0986 0.1551
Trypanosoma brucei heat shock protein, putative 0.0045 0.0342 0.059
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0177 0.0218
Schistosoma mansoni amidase 0.0099 0.1313 0.2089
Schistosoma mansoni hypothetical protein 0.0167 0.2547 0.4121
Echinococcus multilocularis CREB binding protein 0.0364 0.6116 1
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0081 0.0986 0.1551
Echinococcus multilocularis chromobox protein 1 0.0069 0.0767 0.119
Schistosoma mansoni chromobox protein 0.0069 0.0767 0.119
Loa Loa (eye worm) heat shock protein 90 0.0045 0.0342 0.0299
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0221 0.047
Trypanosoma cruzi Heat shock protein 83, putative 0.0045 0.0342 0.059
Schistosoma mansoni endoplasmin 0.0045 0.0342 0.049
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0039 0.0224 0.0295
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0249 0.0335
Brugia malayi Endoplasmin precursor 0.0045 0.0342 0.0299
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0154 0.018
Giardia lamblia Heat shock protein HSP 90-alpha 0.0045 0.0342 0.2552
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0274 0.0582
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.0342 0.059
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.121 0.2564
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0767 0.1627
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Leishmania major monoglyceride lipase, putative 0.0287 0.4717 1
Echinococcus multilocularis heat shock protein 90 0.0045 0.0342 0.049
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0154 0.011
Echinococcus granulosus CREB binding protein 0.0364 0.6116 1
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0274 0.0582
Plasmodium falciparum heat shock protein 90 0.0045 0.0342 0.0725
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.121 0.1918
Trypanosoma brucei heat shock protein 90, putative 0.0045 0.0342 0.059
Schistosoma mansoni CREB-binding protein 2 0.0364 0.6116 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.121 0.2564
Echinococcus granulosus CREB binding protein 0.0364 0.6116 1
Echinococcus granulosus geminin 0.0167 0.2547 0.4121
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.121 1
Entamoeba histolytica hypothetical protein 0.0036 0.0177 0.0236
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.003 0.0068 0.0038
Treponema pallidum heat shock protein 90 0.0042 0.0292 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.1228 0.1948
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.121 0.117
Trichomonas vaginalis heat shock protein, putative 0.0045 0.0342 0.0725
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0133 0.0088
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0878 0.1372
Loa Loa (eye worm) hypothetical protein 0.0579 1 1
Schistosoma mansoni hypothetical protein 0.0081 0.0986 0.1551
Schistosoma mansoni apoptosis regulator bax 0.0081 0.0986 0.1551
Trichomonas vaginalis endoplasmin, putative 0.0033 0.0118 0.025
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0359 0.0761
Echinococcus granulosus heat shock protein 90 0.0045 0.0342 0.049
Trypanosoma brucei heat shock protein, putative 0.0045 0.0342 0.059
Loa Loa (eye worm) hypothetical protein 0.0034 0.0133 0.0088
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.1228 0.1948
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0364 0.6116 1
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.0767 0.0726
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0099 0.1313 0.2089
Trypanosoma brucei monoglyceride lipase, putative 0.0287 0.4717 1
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0081 0.0986 0.1551
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0154 0.018
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Mycobacterium tuberculosis Possible lysophospholipase 0.0287 0.4717 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0287 0.4717 1
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.121 0.2456
Entamoeba histolytica hypothetical protein 0.0036 0.0177 0.0236
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.121 0.1918
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0414 0.0371
Mycobacterium ulcerans lysophospholipase 0.0287 0.4717 1
Trypanosoma brucei heat shock protein, putative 0.0045 0.0342 0.059
Trypanosoma brucei Heat shock protein 83, putative 0.0045 0.0342 0.059
Brugia malayi heat shock protein 90 0.0045 0.0342 0.0299
Echinococcus multilocularis endoplasmin 0.0042 0.0292 0.0407
Echinococcus granulosus endoplasmin 0.0042 0.0292 0.0407
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0177 0.0218
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0081 0.0986 0.0946
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0042 0.0292 0.0482
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0287 0.4717 1
Plasmodium falciparum lysophospholipase, putative 0.0287 0.4717 1
Brugia malayi Hsp90 protein 0.003 0.0068 0.0023
Loa Loa (eye worm) endoplasmin 0.0045 0.0342 0.0299
Echinococcus multilocularis heat shock protein 90 0.0039 0.0224 0.0295
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0287 0.4717 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.121 0.2564
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0099 0.1313 0.2089
Loa Loa (eye worm) apoptosis regulator protein 0.0081 0.0986 0.0946
Echinococcus granulosus heat shock protein 90 0.0039 0.0224 0.0295
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Echinococcus granulosus fatty acid amide hydrolase 1 0.0099 0.1313 0.2089
Entamoeba histolytica hypothetical protein 0.0036 0.0177 0.0236
Plasmodium falciparum esterase, putative 0.0287 0.4717 1
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Schistosoma mansoni endoplasmin 0.0045 0.0342 0.049
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Trichomonas vaginalis heat shock protein, putative 0.0039 0.0224 0.0475
Trypanosoma cruzi monoglyceride lipase, putative 0.0287 0.4717 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.121 0.2456
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Brugia malayi TAZ zinc finger family protein 0.0364 0.6116 0.6098
Trypanosoma brucei heat shock protein, putative 0.0045 0.0342 0.059
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Schistosoma mansoni hypothetical protein 0.0036 0.0177 0.0218
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0287 0.4717 1
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0081 0.0986 0.1551
Trypanosoma brucei heat shock protein, putative 0.0045 0.0342 0.059
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0177 0.0218
Echinococcus multilocularis chromobox protein 1 0.0069 0.0767 0.119
Echinococcus multilocularis heat shock protein 0.0045 0.0342 0.049
Echinococcus granulosus jumonji domain containing protein 0.004 0.0249 0.0335
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.121 0.2564
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.121 0.2564
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0221 0.1516
Giardia lamblia Kinase, PLK 0.0093 0.121 1
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0154 0.018
Echinococcus multilocularis geminin 0.0167 0.2547 0.4121
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Plasmodium vivax PST-A protein 0.0287 0.4717 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.121 0.117
Toxoplasma gondii heat shock protein 90, putative 0.0045 0.0342 0.1153
Plasmodium falciparum lysophospholipase, putative 0.0287 0.4717 1
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0042 0.0292 0.5
Brugia malayi jmjC domain containing protein 0.0035 0.0154 0.011
Trypanosoma cruzi heat shock protein 85, putative 0.0039 0.0224 0.0336
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.121 0.2456
Trypanosoma brucei heat shock protein, putative 0.0045 0.0342 0.059
Entamoeba histolytica heat shock protein 90, putative 0.0045 0.0342 0.059
Giardia lamblia Grp94/Hsp90 0.0042 0.0292 0.2121
Loa Loa (eye worm) hypothetical protein 0.0099 0.1313 0.1274
Trypanosoma cruzi heat shock protein 90, putative 0.0039 0.0224 0.0336
Trichomonas vaginalis conserved hypothetical protein 0.0287 0.4717 1
Schistosoma mansoni chromobox protein 0.0069 0.0767 0.119
Onchocerca volvulus 0.003 0.0071 0.0224
Toxoplasma gondii heat shock protein 75, putative 0.003 0.0068 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0287 0.4717 1
Trypanosoma brucei polo-like protein kinase 0.0093 0.121 0.2456
Trypanosoma brucei heat shock protein, putative 0.0045 0.0342 0.059
Brugia malayi jmjC domain containing protein 0.0094 0.1228 0.1188
Plasmodium vivax endoplasmin, putative 0.0045 0.0342 0.0636
Plasmodium vivax heat shock protein 86, putative 0.0045 0.0342 0.0636
Plasmodium falciparum phd finger protein, putative 0.0029 0.0045 0.0095
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0287 0.4717 1
Plasmodium vivax heat shock protein, putative 0.0171 0.2622 0.5516
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.121 0.2564
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.003 0.0068 0.0038
Schistosoma mansoni hypothetical protein 0.0081 0.0986 0.1551
Schistosoma mansoni fatty-acid amide hydrolase 0.0099 0.1313 0.2089
Giardia lamblia Heat shock protein HSP 90-alpha 0.0039 0.0224 0.1538
Loa Loa (eye worm) heat shock protein 75 0.003 0.0068 0.0023
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0287 0.4717 1
Plasmodium vivax heat shock protein 90, putative 0.003 0.0068 0.0049
Plasmodium falciparum endoplasmin, putative 0.0033 0.0118 0.025
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Echinococcus granulosus chromobox protein 1 0.0069 0.0767 0.119
Plasmodium falciparum lysophospholipase, putative 0.0287 0.4717 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0414 0.0371
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0598 0.0556
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0081 0.0986 0.1551
Echinococcus granulosus heat shock protein 0.0045 0.0342 0.049
Trypanosoma brucei monoglyceride lipase, putative 0.0287 0.4717 1
Schistosoma mansoni kinase 0.0047 0.0381 0.0554
Brugia malayi Heterochromatin protein 1 0.0069 0.0767 0.0726
Entamoeba histolytica heat shock protein 90, putative 0.0045 0.0342 0.059
Trypanosoma brucei heat shock protein 90, putative 0.0045 0.0342 0.059
Entamoeba histolytica hypothetical protein 0.0036 0.0177 0.0236
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.0342 0.059
Brugia malayi chromobox protein homolog 3 0.0039 0.0221 0.0177
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0018 0.0038
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.003 0.0068 0.0197
Loa Loa (eye worm) hypothetical protein 0.0049 0.0414 0.0371
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0287 0.4717 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0416 0.0373
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.0342 0.059
Trypanosoma cruzi heat shock protein 90, putative 0.0045 0.0342 0.059
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Leishmania major heat shock protein 83-1 0.0045 0.0342 0.059
Schistosoma mansoni hypothetical protein 0.0034 0.0133 0.0145
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0359 0.0761
Trypanosoma brucei heat shock protein, putative 0.0045 0.0342 0.059
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0154 0.018
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.121 0.1918
Loa Loa (eye worm) hypothetical protein 0.003 0.0071 0.0026
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.121 0.2564
Brugia malayi hypothetical protein 0.0036 0.0177 0.0133
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0414 0.0371
Toxoplasma gondii Hsp90 domain-containing protein 0.0171 0.2622 1
Trichomonas vaginalis heat shock protein, putative 0.0042 0.0292 0.0619
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0767 0.1627

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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