Detailed information for compound 1342976

Basic information

Technical information
  • TDR Targets ID: 1342976
  • Name: ethyl 4-[[1-(2,3-dihydro-1,4-benzoxazine-4-ca rbonyl)piperidine-3-carbonyl]amino]piperidine -1-carboxylate
  • MW: 444.524 | Formula: C23H32N4O5
  • H donors: 1 H acceptors: 3 LogP: 1.63 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)N1CCC(CC1)NC(=O)C1CCCN(C1)C(=O)N1CCOc2c1cccc2
  • InChi: 1S/C23H32N4O5/c1-2-31-23(30)25-12-9-18(10-13-25)24-21(28)17-6-5-11-26(16-17)22(29)27-14-15-32-20-8-4-3-7-19(20)27/h3-4,7-8,17-18H,2,5-6,9-16H2,1H3,(H,24,28)
  • InChiKey: LDIDDQKKVZIGAP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[[1-(2,3-dihydro-1,4-benzoxazin-4-yl-oxomethyl)-3-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
  • 4-[[1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperidine-3-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester
  • ethyl 4-[[1-(2,3-dihydro-1,4-benzoxazin-4-ylcarbonyl)piperidin-3-yl]carbonylamino]piperidine-1-carboxylate
  • ethyl 4-({[1-(2,3-dihydro-4H-1,4-benzoxazin-4-ylcarbonyl)piperidin-3-yl]carbonyl}amino)piperidine-1-carboxylate
  • IDI1_028601
  • ChemDiv3_011043
  • MLS000093718
  • SMR000029336

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma cruzi cysteine peptidase, putative Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Cryptosporidium parvum cryptopain - cysteine proteinase secreted, possible transmembrane domain near N-terminus Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Cathepsin L homolog Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum ko:K01373 cathepsin F [EC3.4.22.41], putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin L cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cruzipain precursor, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania donovani cysteine peptidase A (CBA) Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Papain family cysteine protease containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium berghei berghepain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Toxoplasma gondii cathepsin CPL Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana cathepsin L-like protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Cryptosporidium hominis cryptopain precursor Get druggable targets OG5_126607 All targets in OG5_126607
Neospora caninum Cathepsin L, related Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei gambiense cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium falciparum cysteine proteinase falcipain 3 Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana cathepsin L-like protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-4 Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium yoelii berghepain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin L cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei gambiense cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei gambiense cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) papain family cysteine protease containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium falciparum cysteine proteinase falcipain 2a Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Cathepsin F homolog Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) fibroinase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Cathepsin L homolog Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-3 Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin l1 Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) ctsf protein Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana cysteine peptidase A (CBA) Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium falciparum cysteine proteinase falcipain 2b Get druggable targets OG5_126607 All targets in OG5_126607
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium vivax vivapain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum expressed protein Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin l1 Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium vivax vivapain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Cathepsin L-like proteinase precursor, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cysteine peptidase A (CPA) Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cathepsin L cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major cathepsin L-like protease 0.0077 0.045 0.045
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0288 0.3719 0.3719
Onchocerca volvulus 0.0048 0 0.5
Leishmania major cathepsin L-like protease 0.0077 0.045 0.045
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0693 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0146 0.1521 0.2098
Loa Loa (eye worm) hypothetical protein 0.0101 0.0827 0.0827
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0233 0.2859 0.2859
Loa Loa (eye worm) hypothetical protein 0.0141 0.1446 0.1446
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0233 0.2859 0.2859
Trichomonas vaginalis PIKK family atypical protein kinase 0.0414 0.5676 0.5676
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0233 0.2859 0.2859
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0233 0.2859 0.2859
Trichomonas vaginalis PIKK family atypical protein kinase 0.0693 1 1
Toxoplasma gondii FATC domain-containing protein 0.0131 0.1288 0.1778
Giardia lamblia GTOR 0.0693 1 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0131 0.1288 0.1288
Loa Loa (eye worm) hypothetical protein 0.0086 0.0595 0.0595
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0552 0.7811 0.7811
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0233 0.2859 0.2859
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0693 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0131 0.1288 0.1288
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0233 0.2859 0.2859
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0693 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.2859 0.2859
Plasmodium falciparum glycogen synthase kinase 3 0.0048 0 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0233 0.2859 0.2859
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.2859 0.2859
Brugia malayi FAT domain containing protein 0.0101 0.0827 0.0827
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0131 0.1288 0.1288
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0131 0.1288 0.1288
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.045 0.045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0552 0.7802 0.7802
Plasmodium vivax glycogen synthase kinase 3, putative 0.0048 0 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.045 0.045
Entamoeba histolytica hypothetical protein 0.0131 0.1288 0.1288
Trypanosoma cruzi major cysteine proteinase, putative 0.0061 0.0195 0.0195
Trichomonas vaginalis PIKK family atypical protein kinase 0.0516 0.7247 0.7247
Entamoeba histolytica protein kinase rad3, putative 0.0131 0.1288 0.1288
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.045 0.045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.5049 0.5049
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0131 0.1288 0.1288
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0693 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0516 0.7247 0.7247
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.045 0.045
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.045 0.045
Trichomonas vaginalis PIKK family atypical protein kinase 0.041 0.5612 0.5612
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.2859 0.2859
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0233 0.2859 0.2859
Trypanosoma cruzi cruzipain precursor, putative 0.0077 0.045 0.045
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0131 0.1288 0.1288
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.045 0.045
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0131 0.1288 0.1288
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.5058 0.5058
Schistosoma mansoni hypothetical protein 0.0101 0.0827 0.0827
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.5049 0.5049
Trichomonas vaginalis PIKK family atypical protein kinase 0.0414 0.5676 0.5676
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0101 0.0827 0.0827
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0693 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.5058 0.5058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0552 0.7802 0.7802
Trichomonas vaginalis PIKK family atypical protein kinase 0.0552 0.7802 0.7802
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.045 0.045
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.0595 0.0595
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.0827 0.0827
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.2859 0.2859
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0693 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0693 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0146 0.1521 0.1521
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0131 0.1288 0.1288
Trichomonas vaginalis PIKK family atypical protein kinase 0.0592 0.8429 0.8429
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.045 0.045
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.007 0.0346 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0552 0.7802 0.7802
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0328 0.4337 0.4337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0693 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.045 0.045
Loa Loa (eye worm) phosphatidylinositol 3 0.0693 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.045 0.045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0516 0.7247 0.7247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0131 0.1288 0.1288
Trichomonas vaginalis PIKK family atypical protein kinase 0.0131 0.1288 0.1288
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0693 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0516 0.7247 0.7247
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.045 0.045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.5058 0.5058
Schistosoma mansoni fkbp-rapamycin associated protein 0.0131 0.1288 0.1288
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0101 0.0827 0.0827
Trichomonas vaginalis PIKK family atypical protein kinase 0.0552 0.7802 0.7802
Leishmania major phosphatidylinositol 3-kinase, putative 0.0233 0.2859 0.2859
Echinococcus granulosus serine protein kinase ATM 0.0131 0.1288 0.1288
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0552 0.7811 0.7811
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0131 0.1288 0.1288
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.5049 0.5049
Trichomonas vaginalis PIKK family atypical protein kinase 0.0516 0.7247 0.7247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0465 0.6463 0.6463
Trichomonas vaginalis PIKK family atypical protein kinase 0.041 0.5612 0.5612
Trichomonas vaginalis PIKK family atypical protein kinase 0.0374 0.5058 0.5058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0414 0.5676 0.5676
Trichomonas vaginalis PIKK family atypical protein kinase 0.0516 0.7247 0.7247
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0233 0.2859 0.2859
Trichomonas vaginalis PIKK family atypical protein kinase 0.0516 0.7247 0.7247
Trichomonas vaginalis PIKK family atypical protein kinase 0.0086 0.0595 0.0595
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.045 0.045
Trichomonas vaginalis PIKK family atypical protein kinase 0.045 0.6231 0.6231
Loa Loa (eye worm) hypothetical protein 0.0146 0.1521 0.1521
Leishmania major cathepsin L-like protease 0.0077 0.045 0.045
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.356 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0131 0.1288 0.1288
Toxoplasma gondii target of rapamycin (TOR), putative 0.0516 0.7247 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0233 0.2859 0.2859
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0693 1 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.1288 0.1288
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.045 0.045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0233 0.2859 0.2859
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0086 0.0595 0.0595
Echinococcus multilocularis serine protein kinase ATM 0.0131 0.1288 0.1288
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0693 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.045 0.045
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0693 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0186 0.2139 0.2139
Trypanosoma cruzi target of rapamycin kinase 3 0.0552 0.7811 0.7811
Trichomonas vaginalis PIKK family atypical protein kinase 0.0693 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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