Detailed information for compound 726977

Basic information

Technical information
  • TDR Targets ID: 726977
  • Name: N-(4-methoxy-2-nitrophenyl)-2-morpholin-4-yla cetamide
  • MW: 295.291 | Formula: C13H17N3O5
  • H donors: 1 H acceptors: 3 LogP: 1.14 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CN1CCOCC1
  • InChi: 1S/C13H17N3O5/c1-20-10-2-3-11(12(8-10)16(18)19)14-13(17)9-15-4-6-21-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,14,17)
  • InChiKey: GYIAJQVUZQRYJH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-methoxy-2-nitro-phenyl)-2-morpholino-acetamide
  • N-(4-methoxy-2-nitrophenyl)-2-morpholinoacetamide
  • N-(4-methoxy-2-nitro-phenyl)-2-morpholin-4-yl-ethanamide
  • T5395426
  • CBKinase1_023951
  • CBKinase1_011551

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
Loa Loa (eye worm) hypothetical protein 0.0052 0.0497 0.0967
Onchocerca volvulus 0.0038 0.0298 0.0635
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.071 0.1619
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0012 0.0398
Echinococcus multilocularis cysteine protease 0.0018 0.0012 0.0012
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.071 0.1428
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0298 0.0607
Loa Loa (eye worm) fibroinase 0.0018 0.0012 0.0023
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0298 0.0599
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0012 0.0398
Toxoplasma gondii hypothetical protein 0.0053 0.0509 1
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0012 0.0025
Loa Loa (eye worm) hypothetical protein 0.035 0.4688 0.9123
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0298 0.0607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0012 0.0398
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0298 1
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.037 0.497 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0298 0.0298
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0298 0.0298
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0012 0.0398
Leishmania major hypothetical protein, conserved 0.0038 0.0298 0.0607
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0012 0.0012
Onchocerca volvulus 0.0018 0.0012 0.0025
Loa Loa (eye worm) beta-lactamase 0.0038 0.0298 0.0579
Brugia malayi Cathepsin L-like precursor 0.0018 0.0012 0.0023
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.071 0.1619
Mycobacterium ulcerans beta-lactamase 0.0038 0.0298 0.0579
Loa Loa (eye worm) cysteine protease 0.0018 0.0012 0.0023
Onchocerca volvulus 0.0018 0.0012 0.0025
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0298 0.0607
Onchocerca volvulus 0.0038 0.0298 0.0635
Loa Loa (eye worm) ctsf protein 0.0018 0.0012 0.0023
Leishmania major cathepsin L-like protease 0.0018 0.0012 0.0024
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0012 0.0398
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0012 0.0012
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.071 0.1619
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0298 0.0607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0012 0.0398
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0298 0.0579
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0155 0.195 0.3979
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0012 0.0012
Brugia malayi Cathepsin L-like precursor 0.0018 0.0012 0.0023
Echinococcus multilocularis expressed protein 0.0019 0.0032 0.0032
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0061 0.0628 0.1263
Echinococcus granulosus tumor protein p63 0.0356 0.4776 0.4776
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0012 0.0024
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0012 0.0012
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0298 0.0298
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0497 0.0497
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0012 0.0012
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0046 0.0413 0.0942
Entamoeba histolytica cysteine protease, putative 0.0018 0.0012 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0298 0.0579
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0012 0.0398
Loa Loa (eye worm) hypothetical protein 0.0038 0.0298 0.0579
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0365 0.4902 1
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0298 0.0679
Echinococcus multilocularis tumor protein p63 0.0356 0.4776 0.4776
Mycobacterium tuberculosis Conserved protein 0.0038 0.0298 0.0607
Brugia malayi MH2 domain containing protein 0.0241 0.3159 0.6148
Toxoplasma gondii ABC1 family protein 0.0038 0.0298 0.5848
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0019 0.0032 0.0064
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.071 0.1619
Mycobacterium ulcerans bacterioferritin BfrA 0.0019 0.0032 0.0061
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0012 0.0398
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0012 0.0398
Leishmania major cathepsin L-like protease 0.0018 0.0012 0.0024
Onchocerca volvulus 0.0052 0.0497 0.106
Loa Loa (eye worm) hypothetical protein 0.0038 0.0298 0.0579
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0012 0.0398
Echinococcus multilocularis ferritin 0.0019 0.0032 0.0032
Onchocerca volvulus 0.0018 0.0012 0.0025
Brugia malayi Cathepsin L-like precursor 0.0018 0.0012 0.0023
Loa Loa (eye worm) hypothetical protein 0.0038 0.0298 0.0579
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.0507 0.1021
Mycobacterium ulcerans hypothetical protein 0.0173 0.2197 0.4276
Onchocerca volvulus 0.0018 0.0012 0.0025
Plasmodium vivax vivapain-2 0.0018 0.0012 0.0398
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0298 0.0579
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0018 0.0012 1
Schistosoma mansoni ferritin light chain 0.0019 0.0032 0.0032
Onchocerca volvulus Cathepsin L homolog 0.0018 0.0012 0.0025
Mycobacterium ulcerans bacterioferritin BfrB 0.0019 0.0032 0.0061
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.071 0.1619
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0365 0.4902 1
Onchocerca volvulus Cathepsin F homolog 0.0018 0.0012 0.0025
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0298 0.0599
Echinococcus multilocularis cysteine protease 0.0018 0.0012 0.0012
Schistosoma mansoni ferritin light chain 0.0019 0.0032 0.0032
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0019 0.0032 0.5
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0012 0.0023
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0012 0.0398
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0012 0.0398
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0298 0.0607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.071 0.1619
Loa Loa (eye worm) hypothetical protein 0.0018 0.0012 0.0023
Leishmania major fatty acid transporter protein-like protein 0.0365 0.4902 1
Echinococcus granulosus ferritin 0.0019 0.0032 0.0032
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0012 1
Echinococcus granulosus expressed protein 0.0019 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0038 0.0298 0.0579
Schistosoma mansoni apoferritin-2 0.0019 0.0032 0.0032
Echinococcus granulosus cathepsin l1 0.0018 0.0012 0.0012
Schistosoma mansoni ferritin 0.0019 0.0032 0.0032
Brugia malayi Cathepsin L-like precursor 0.0018 0.0012 0.0023
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0012 0.0398
Mycobacterium tuberculosis Conserved protein 0.0038 0.0298 0.0607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0012 0.0398
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0012 0.0398
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0056 0.0555 0.1117
Plasmodium vivax vivapain-2 0.0018 0.0012 0.0398
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0012 0.0398
Loa Loa (eye worm) MH2 domain-containing protein 0.0241 0.3159 0.6148
Brugia malayi Cathepsin L-like precursor 0.0018 0.0012 0.0023
Onchocerca volvulus 0.035 0.4688 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0012 0.0398
Toxoplasma gondii cathepsin CPL 0.0018 0.0012 0.0233
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0012 0.0398
Mycobacterium tuberculosis Conserved hypothetical protein 0.0173 0.2197 0.4483
Echinococcus granulosus long chain fatty acid transport protein 4 0.037 0.497 0.497
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.071 0.1428
Mycobacterium ulcerans hypothetical protein 0.0038 0.0298 0.0579
Onchocerca volvulus 0.0018 0.0012 0.0025
Onchocerca volvulus 0.0018 0.0012 0.0025
Brugia malayi beta-lactamase 0.0038 0.0298 0.0579
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0328 0.4384 0.8821
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0382 0.5139 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0298 0.0298
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.071 0.1619
Loa Loa (eye worm) transcription factor SMAD2 0.0241 0.3159 0.6148
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.071 0.1619
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0012 0.0012
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0046 0.0413 0.0831
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0155 0.195 0.4449
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0012 0.0398
Mycobacterium tuberculosis Conserved protein 0.0038 0.0298 0.0607
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0012 0.0023
Brugia malayi beta-lactamase family protein 0.0038 0.0298 0.0579
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0298 1
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.071 0.1428
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0382 0.5139 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.071 0.1619
Loa Loa (eye worm) hypothetical protein 0.0038 0.0298 0.0579
Brugia malayi hypothetical protein 0.035 0.4688 0.9123
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0012 0.0398
Leishmania major cathepsin L-like protease 0.0018 0.0012 0.0024
Schistosoma mansoni ferritin 0.0019 0.0032 0.0032
Brugia malayi beta-lactamase family protein 0.0038 0.0298 0.0579
Schistosoma mansoni FFA transport protein 0.037 0.497 0.497
Treponema pallidum bacterioferrin (TpF1) 0.0019 0.0032 0.5
Leishmania major cathepsin L-like protease 0.0018 0.0012 0.0024
Echinococcus multilocularis long chain fatty acid transport protein 4 0.037 0.497 0.497
Schistosoma mansoni microtubule-associated protein tau 0.0727 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0012 0.0398
Brugia malayi AMP-binding enzyme family protein 0.0382 0.5139 1
Trichomonas vaginalis esterase, putative 0.0038 0.0298 1
Trypanosoma cruzi cruzipain precursor, putative 0.0067 0.071 0.1428
Mycobacterium leprae Probable lipase LipE 0.0038 0.0298 0.0607
Schistosoma mansoni apoferritin-2 0.0019 0.0032 0.0032
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0012 0.0398
Leishmania major cysteine peptidase A (CPA) 0.0018 0.0012 0.0024
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0298 0.0579
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0298 0.0579
Schistosoma mansoni ferritin 0.0019 0.0032 0.0032
Brugia malayi Cathepsin L-like precursor 0.0018 0.0012 0.0023
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0298 0.0607
Mycobacterium ulcerans lipase LipD 0.0038 0.0298 0.0579
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0012 0.0398
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0012 0.0023
Leishmania major cathepsin L-like protease 0.0067 0.071 0.1448
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0155 0.195 0.3924
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0012 1
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0019 0.0032 0.0064
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0298 0.0607
Trichomonas vaginalis ferritin, putative 0.0019 0.0032 0.1062
Leishmania major cathepsin L-like protease 0.0067 0.071 0.1448
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0298 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0328 0.4384 1
Onchocerca volvulus 0.0018 0.0012 0.0025
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.071 0.1619
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0328 0.4384 0.8821
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0413 0.0831
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0012 0.0012
Echinococcus multilocularis microtubule associated protein 2 0.0727 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0242 0.3176 0.6478
Leishmania major cathepsin L-like protease 0.0067 0.071 0.1448
Onchocerca volvulus 0.0038 0.0298 0.0635
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.071 0.1619
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0012 0.0398
Leishmania major mitochondrial DNA polymerase beta 0.0328 0.4384 0.8944
Plasmodium falciparum cysteine proteinase falcipain 3 0.0018 0.0012 1
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0298 1
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0298 0.0607
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0298 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0413 0.0831
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0019 0.0032 0.0064
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0298 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0012 0.0012
Leishmania major cathepsin L-like protease 0.0018 0.0012 0.0024
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0012 0.0398
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0018 0.0012 1
Schistosoma mansoni ferritin 0.0019 0.0032 0.0032
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.037 0.497 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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