Detailed information for compound 1267058

Basic information

Technical information
  • TDR Targets ID: 1267058
  • Name: N-[2-(1-propylbenzimidazol-2-yl)ethyl]butanam ide
  • MW: 273.373 | Formula: C16H23N3O
  • H donors: 1 H acceptors: 2 LogP: 2.7 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)NCCc1nc2c(n1CCC)cccc2
  • InChi: 1S/C16H23N3O/c1-3-7-16(20)17-11-10-15-18-13-8-5-6-9-14(13)19(15)12-4-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H,17,20)
  • InChiKey: WBVOEVRKSWYEHX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(1-propyl-2-benzimidazolyl)ethyl]butanamide
  • N-[2-(1-propylbenzimidazol-2-yl)ethyl]butyramide
  • ChemDiv3_008076
  • ZINC02721399
  • MLS000101388
  • SMR000016081
  • ST5116698
  • IDI1_025986

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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) papain family cysteine protease containing protein 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
Echinococcus multilocularis cathepsin L cysteine 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
Brugia malayi Cathepsin L-like precursor 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
Leishmania mexicana 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
Theileria parva 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum expressed protein 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
Loa Loa (eye worm) cysteine 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
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
Neospora caninum Cathepsin L, related 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
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 cruzi cysteine peptidase, 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
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-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 brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 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
Plasmodium vivax vivapain-2 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
Plasmodium falciparum cysteine proteinase falcipain 2b Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-4 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
Echinococcus granulosus cathepsin l1 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 major cathepsin L-like protease 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
Entamoeba histolytica cysteine proteinase, putative 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
Onchocerca volvulus Cathepsin L homolog 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
Trypanosoma congolense 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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 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
Theileria parva cysteine proteinase 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
Echinococcus multilocularis cathepsin l 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 cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, 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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 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
Cryptosporidium hominis cryptopain precursor 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
Onchocerca volvulus Cathepsin F homolog 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
Echinococcus granulosus cathepsin l 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
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
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
Brugia malayi Cathepsin L-like precursor 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
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 or K-like cysteine peptidase 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
Trypanosoma cruzi cysteine peptidase, putative 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
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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 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
Leishmania infantum cysteine peptidase A (CPA) 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
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 Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 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
Echinococcus multilocularis cathepsin L cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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
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
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
Loa Loa (eye worm) hypothetical protein 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
Echinococcus granulosus cathepsin l1 Get druggable targets OG5_126607 All targets in OG5_126607
Toxoplasma gondii cathepsin CPL Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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
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
Schistosoma mansoni cathepsin F (C01 family) Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium berghei berghepain-2 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
Plasmodium knowlesi knowpain-3 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 infantum 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
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
Cryptosporidium parvum cryptopain - cysteine proteinase secreted, possible transmembrane domain near N-terminus 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
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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 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
Leishmania donovani cysteine peptidase A (CBA) 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
Plasmodium vivax vivapain-2 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 congolense 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
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
Plasmodium yoelii berghepain-2 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-2 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
Entamoeba histolytica cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cysteine protease 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 congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
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
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Brugia malayi cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cysteine 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
Leishmania mexicana cysteine peptidase A (CBA) 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 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
Trypanosoma cruzi cruzipain precursor, 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
Leishmania mexicana 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
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
Brugia malayi Cathepsin L-like precursor 0.002 0.0049 0.019
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0049 0.019
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0469 0.1041
Brugia malayi Cell death protein 3 precursor 0.0366 0.2601 1
Loa Loa (eye worm) hypothetical protein 0.0366 0.2601 1
Onchocerca volvulus 0.002 0.0049 0.019
Leishmania major metacaspase, putative 0.0366 0.2601 1
Plasmodium vivax hypothetical protein, conserved 0.0366 0.2601 1
Onchocerca volvulus 0.002 0.0049 0.019
Brugia malayi Cathepsin L-like precursor 0.002 0.0049 0.019
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0221 0.0172
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0049 0.019
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0049 0.019
Onchocerca volvulus Cathepsin F homolog 0.002 0.0049 0.019
Onchocerca volvulus 0.0043 0.0221 0.085
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0221 0.0673
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.007 0.0419 0.145
Toxoplasma gondii ABC1 family protein 0.0043 0.0221 0.0673
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.0049 0.019
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.0469 0.1644
Echinococcus granulosus cathepsin l cysteine peptidase 0.002 0.0049 0.0049
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0469 0.1041
Trypanosoma cruzi metacaspase, putative 0.0366 0.2601 1
Onchocerca volvulus 0.002 0.0049 0.019
Trypanosoma cruzi metacaspase 5, putative 0.0366 0.2601 1
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0049 1
Onchocerca volvulus 0.002 0.0049 0.019
Trypanosoma cruzi metacaspase, putative 0.0366 0.2601 1
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0366 0.2601 0.2601
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0221 0.0221
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0469 0.1041
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0366 0.2601 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0221 0.085
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0366 0.2601 1
Onchocerca volvulus 0.002 0.0049 0.019
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0049 0.0049
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0221 0.085
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0469 0.1041
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0049 0.019
Leishmania major cathepsin L-like protease 0.0077 0.0469 0.1644
Brugia malayi Papain family cysteine protease containing protein 0.002 0.0049 0.019
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0221 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0469 0.1041
Trypanosoma brucei metacaspase 5, putative 0.0366 0.2601 1
Schistosoma mansoni caspase-7 (C14 family) 0.0366 0.2601 0.2601
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0221 0.5
Loa Loa (eye worm) hypothetical protein 0.0366 0.2601 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0049 0.019
Loa Loa (eye worm) hypothetical protein 0.0043 0.0221 0.085
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0366 0.2601 1
Trichomonas vaginalis esterase, putative 0.0043 0.0221 0.085
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0221 0.0221
Echinococcus multilocularis caspase 8 0.0366 0.2601 0.2564
Echinococcus multilocularis caspase 2 0.0366 0.2601 0.2564
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.002 0.0049 0.019
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0366 0.2601 1
Entamoeba histolytica cysteine protease, putative 0.002 0.0049 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0221 0.085
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0366 0.2601 1
Schistosoma mansoni caspase-3 (C14 family) 0.1369 1 1
Leishmania major cathepsin L-like protease 0.0077 0.0469 0.1644
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0049 0.019
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0049 0.019
Echinococcus granulosus caspase 2 0.0366 0.2601 0.2601
Schistosoma mansoni caspase-7 (C14 family) 0.1369 1 1
Brugia malayi beta-lactamase family protein 0.0043 0.0221 0.085
Onchocerca volvulus Cathepsin L homolog 0.002 0.0049 0.019
Echinococcus multilocularis caspase 3 0.1003 0.7299 0.7286
Trypanosoma brucei metacaspase MCA3 0.0366 0.2601 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0221 0.5
Mycobacterium leprae Probable lipase LipE 0.0043 0.0221 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0049 0.019
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.0469 0.1644
Loa Loa (eye worm) cysteine protease 0.002 0.0049 0.019
Brugia malayi Cathepsin L-like precursor 0.002 0.0049 0.019
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0049 1
Brugia malayi Cathepsin L-like precursor 0.002 0.0049 0.019
Loa Loa (eye worm) ctsf protein 0.002 0.0049 0.019
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0469 0.1041
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0049 0.019
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0049 0.019
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0049 0.019
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0366 0.2601 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0366 0.2601 1
Trypanosoma cruzi cruzipain precursor, putative 0.0077 0.0469 0.1644
Loa Loa (eye worm) hypothetical protein 0.0043 0.0221 0.085
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0469 0.1041
Loa Loa (eye worm) hypothetical protein 0.0043 0.0221 0.085
Loa Loa (eye worm) hypothetical protein 0.0043 0.0221 0.085
Brugia malayi Cathepsin L-like precursor 0.002 0.0049 0.019
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0049 0.0049
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0049 0.019
Trichomonas vaginalis conserved hypothetical protein 0.0366 0.2601 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.0049 0.019
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0049 0.019
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0366 0.2601 1
Echinococcus granulosus caspase 8 0.0366 0.2601 0.2601
Echinococcus granulosus caspase 0.1369 1 1
Plasmodium falciparum metacaspase 1 0.0366 0.2601 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0049 0.019
Onchocerca volvulus 0.002 0.0049 0.019
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0049 0.019
Trypanosoma brucei metacaspase MCA2 0.0366 0.2601 1
Brugia malayi beta-lactamase 0.0043 0.0221 0.085
Trichomonas vaginalis conserved hypothetical protein 0.0366 0.2601 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0221 0.0221
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0049 0.019
Trypanosoma brucei Metacaspase-4 0.0366 0.2601 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0049 0.019
Echinococcus multilocularis caspase 0.1369 1 1
Trypanosoma cruzi metacaspase, putative 0.0366 0.2601 1
Trypanosoma brucei metacaspase 0.0366 0.2601 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0221 0.085
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0049 0.019
Mycobacterium ulcerans beta-lactamase 0.0043 0.0221 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0049 0.019
Plasmodium falciparum metacaspase-like protein 0.0366 0.2601 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0221 0.085
Echinococcus granulosus cathepsin l1 0.002 0.0049 0.0049
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.0469 0.1644
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0221 0.085
Leishmania major cathepsin L-like protease 0.0077 0.0469 0.1644
Trypanosoma cruzi major cysteine proteinase, putative 0.0061 0.0347 0.1167
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0221 0.0673
Trypanosoma cruzi metacaspase 5, putative 0.0366 0.2601 1
Onchocerca volvulus 0.0043 0.0221 0.085
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0366 0.2601 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0221 0.085
Onchocerca volvulus 0.002 0.0049 0.019
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0221 0.0673
Brugia malayi beta-lactamase family protein 0.0043 0.0221 0.085
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0366 0.2601 1
Trichomonas vaginalis conserved hypothetical protein 0.0366 0.2601 1
Trichomonas vaginalis conserved hypothetical protein 0.0366 0.2601 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0221 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0366 0.2601 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.002 0.0049 0.0049
Onchocerca volvulus Cell death protein 3 homolog 0.0366 0.2601 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0049 0.019
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0469 0.1041
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.1369 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.0049 0.019
Brugia malayi Cathepsin L-like precursor 0.002 0.0049 0.019
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0469 0.1041
Echinococcus granulosus caspase 3 0.1003 0.7299 0.7299
Trichomonas vaginalis conserved hypothetical protein 0.0366 0.2601 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.195 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0049 0.019
Loa Loa (eye worm) fibroinase 0.002 0.0049 0.019
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0049 0.019
Leishmania major hypothetical protein, conserved 0.0043 0.0221 0.0673
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0221 0.085
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0221 0.085
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0049 0.019
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0221 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0049 0.019
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0366 0.2601 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0469 0.1041
Plasmodium vivax metacaspase 1, putative 0.0366 0.2601 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0221 0.085
Onchocerca volvulus 0.0043 0.0221 0.085
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.0469 0.1041
Onchocerca volvulus Cathepsin L homolog 0.002 0.0049 0.019
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0366 0.2601 1
Trichomonas vaginalis conserved hypothetical protein 0.0366 0.2601 1
Trypanosoma cruzi metacaspase, putative 0.0366 0.2601 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 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) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, 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
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.
 
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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