Detailed information for compound 342931

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.269 | Formula: C16H22BrN3O
  • H donors: 2 H acceptors: 2 LogP: 3.24 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCNC(=O)[C@@H](NC(c1ccc(cc1)Br)C)CC(C)C
  • InChi: 1S/C16H22BrN3O/c1-11(2)10-15(16(21)19-9-8-18)20-12(3)13-4-6-14(17)7-5-13/h4-7,11-12,15,20H,9-10H2,1-3H3,(H,19,21)/t12?,15-/m0/s1
  • InChiKey: DLEFKHOJKHKBSL-CVRLYYSRSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cathepsin K Starlite/ChEMBL 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
Echinococcus multilocularis cysteine protease Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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 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
Entamoeba histolytica cysteine proteinase, putative Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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
Entamoeba histolytica cysteine 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
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
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
Plasmodium knowlesi knowpain-3 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
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
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
Schistosoma mansoni cathepsin F (C01 family) 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
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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, cathepsin L-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-2 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
Theileria parva cysteine 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
Loa Loa (eye worm) hypothetical protein 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
Brugia malayi Cathepsin L-like precursor 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 or K-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
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
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
Trypanosoma congolense 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
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, 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
Entamoeba histolytica cysteine proteinase, 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
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
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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
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
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 cysteine proteinase 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 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
Leishmania braziliensis cysteine peptidase A (CPA) 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 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
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
Schistosoma mansoni cathepsin F (C01 family) 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, 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
Onchocerca volvulus Cathepsin L homolog 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, papain-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
Echinococcus multilocularis cathepsin L cysteine protease 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
Brugia malayi Cathepsin L-like precursor 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 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
Cryptosporidium parvum cryptopain - cysteine proteinase secreted, possible transmembrane domain near N-terminus 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
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium knowlesi knowpain-4 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
Theileria parva cysteine proteinase, putative 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
Leishmania braziliensis cathepsin L-like protease 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
Onchocerca volvulus 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 brucei 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
Theileria parva cysteine proteinase 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
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
Brugia malayi Cathepsin L-like precursor 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
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 cysteine protease/cathepsin propeptide inhibitor-containing protein 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 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
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
Leishmania mexicana 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 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 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
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
Schistosoma japonicum Cathepsin L-like proteinase precursor, putative 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
Plasmodium berghei berghepain-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
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
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
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
Brugia malayi Papain family cysteine protease containing 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
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
Leishmania infantum cathepsin L-like protease 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 2b Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus 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
Plasmodium vivax vivapain-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
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
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
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 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 gambiense cysteine peptidase precursor,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
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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 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
Loa Loa (eye worm) hypothetical protein 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum cysteine proteinase falcipain 1 cathepsin K 329 aa 349 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0066 0.287 0.2731
Echinococcus granulosus tar DNA binding protein 0.0066 0.287 0.2731
Schistosoma mansoni tar DNA-binding protein 0.0066 0.287 0.2731
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0191 0.0597
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.007 0.3192 0.306
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0191 0.0597
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.007 0.3192 0.306
Brugia malayi Cathepsin L-like precursor 0.0027 0.0191 0.0597
Brugia malayi Cathepsin L-like precursor 0.0027 0.0191 0.0597
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0191 0.0597
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0191 0.0597
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.007 0.3192 0.5
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.007 0.3192 1
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0048 0.1683 0.557
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.3192 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0191 0.0597
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.007 0.3192 0.306
Onchocerca volvulus 0.0027 0.0191 0.5
Brugia malayi Cathepsin L-like precursor 0.0027 0.0191 0.0597
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0168 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0191 0.0597
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.007 0.3192 1
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0024 0.0003 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0191 0.0597
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.007 0.3192 1
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.007 0.3192 0.5
Loa Loa (eye worm) TAR-binding protein 0.0066 0.287 1
Onchocerca volvulus Cathepsin F homolog 0.0027 0.0191 0.5
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0046 0.1509 0.4394
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.1512 0.4933
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0046 0.1512 0.1347
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.007 0.3192 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.007 0.3192 0.306
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0122 0.6791 0.6728
Brugia malayi TAR-binding protein 0.0066 0.287 0.8989
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0122 0.6791 0.6728
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0046 0.1512 0.4737
Schistosoma mansoni alkaline phosphatase 0.0168 1 1
Onchocerca volvulus Cathepsin L homolog 0.0027 0.0191 0.5
Schistosoma mansoni alkaline phosphatase 0.0168 1 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.3192 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.007 0.3192 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.007 0.3192 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0191 0.0597
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0168 1 1
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.007 0.3192 1
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0046 0.1509 0.4394
Brugia malayi Cathepsin L-like precursor 0.0027 0.0191 0.0597
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0046 0.1512 0.4933
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0191 0.0597
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.007 0.3192 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0191 0.0597
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0191 0.0597
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.3192 1
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0168 1 1
Onchocerca volvulus Cathepsin L homolog 0.0027 0.0191 0.5
Onchocerca volvulus 0.0027 0.0191 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.3192 1
Brugia malayi Cathepsin L-like precursor 0.0027 0.0191 0.0597
Schistosoma mansoni lipoxygenase 0.0085 0.4242 0.413
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0191 0.0597
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.287 1
Onchocerca volvulus 0.0027 0.0191 0.5
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.007 0.3192 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.0191 0.0597
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.007 0.3192 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.3192 1
Brugia malayi Papain family cysteine protease containing protein 0.0027 0.0191 0.0597
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0191 0.0597
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0191 0.0597
Echinococcus multilocularis alkaline phosphatase 0.0168 1 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.007 0.3192 0.306
Onchocerca volvulus 0.0027 0.0191 0.5
Echinococcus multilocularis tar DNA binding protein 0.0066 0.287 0.2731
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0191 0.0597
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.3192 1
Onchocerca volvulus 0.0027 0.0191 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.287 0.2731
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.007 0.3192 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0046 0.1512 0.1347
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.007 0.3192 1
Schistosoma mansoni lipoxygenase 0.0122 0.6791 0.6728
Brugia malayi Cathepsin L-like precursor 0.0027 0.0191 0.0597
Loa Loa (eye worm) RNA binding protein 0.0066 0.287 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.287 0.2731
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0046 0.1509 0.4394
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0191 0.0597
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0191 0.0597
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.0024 0.0003 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.007 0.3192 1
Onchocerca volvulus 0.0027 0.0191 0.5
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.007 0.3192 0.306
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.287 0.8989
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0191 0.0597
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.007 0.3192 1
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.007 0.3192 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.007 0.3192 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0191 0.0597
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0191 0.0597
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0191 0.0597
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0027 0.0191 0.0597
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0191 0.0597
Onchocerca volvulus 0.0027 0.0191 0.5
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.007 0.3192 0.306
Echinococcus granulosus alkaline phosphatase 0.0168 1 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.3192 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.3192 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0046 0.1512 0.4933
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0046 0.1509 0.4394
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.007 0.3192 1
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.007 0.3192 0.5
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0046 0.1512 0.4737
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.007 0.3192 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0027 0.0191 0.0597
Schistosoma mansoni hypothetical protein 0.0087 0.4389 0.428
Schistosoma mansoni tar DNA-binding protein 0.0066 0.287 0.2731
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0048 0.1683 0.557
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.007 0.3192 0.5
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0168 1 1
Brugia malayi RNA binding protein 0.0066 0.287 0.8989
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.007 0.3192 0.306

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 988 nM Inhibitory activity against cathepsin K using humanized rabbit enzyme ChEMBL. 16154747
IC50 (binding) = 988 nM Inhibitory activity against cathepsin K using humanized rabbit enzyme ChEMBL. 16154747
pKa (binding) = 6.7 pKa value determined against cathepsin K from humanized rabbit enzyme ChEMBL. 16154747
pKa (binding) = 6.7 pKa value determined against cathepsin K from humanized rabbit enzyme ChEMBL. 16154747

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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