Detailed information for compound 161930

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 468.585 | Formula: C27H36N2O5
  • H donors: 2 H acceptors: 3 LogP: 4.86 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CCc1ccccc1
  • InChi: 1S/C27H36N2O5/c1-4-33-19-25(30)23(16-15-21-11-7-5-8-12-21)28-26(31)24(17-20(2)3)29-27(32)34-18-22-13-9-6-10-14-22/h5-14,20,23-24H,4,15-19H2,1-3H3,(H,28,31)(H,29,32)/t23-,24-/m0/s1
  • InChiKey: BYVCMSDJMRGLSL-ZEQRLZLVSA-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 L Starlite/ChEMBL References
Homo sapiens cathepsin K Starlite/ChEMBL References
Homo sapiens cathepsin S Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
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 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
Echinococcus multilocularis 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
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 Cathepsin L-like proteinase precursor, 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 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
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
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
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
Brugia malayi Cathepsin L-like precursor 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 gambiense cysteine peptidase precursor,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
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, 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
Leishmania major cysteine peptidase A (CPA) 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
Leishmania mexicana cathepsin L-like protease, putative 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
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 protease Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus multilocularis cysteine 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
Trypanosoma cruzi cysteine peptidase, putative 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 protease, 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
Echinococcus granulosus cathepsin L cysteine proteinase 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
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
Trichomonas vaginalis Clan CA, family C1, papain-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
Leishmania braziliensis cysteine peptidase A (CPA) 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
Loa Loa (eye worm) 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
Trypanosoma brucei 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
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
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 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
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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 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
Onchocerca volvulus 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, 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
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
Leishmania major cathepsin L-like protease 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
Leishmania major cathepsin L-like 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
Onchocerca volvulus Cathepsin L 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
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 or K-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
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 major cathepsin L-like protease 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
Leishmania mexicana 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
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
Theileria parva cysteine proteinase, putative 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
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
Brugia malayi Cathepsin L-like precursor 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 infantum cathepsin L-like protease 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
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
Loa Loa (eye worm) hypothetical 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
Brugia malayi Cathepsin L-like cysteine proteinase 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, papain-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 cruzi cysteine peptidase, 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
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
Brugia malayi Papain family cysteine protease containing protein 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
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
Schistosoma mansoni cathepsin F (C01 family) 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, 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
Leishmania major cathepsin L-like 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
Neospora caninum Cathepsin L, related Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin l1 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
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
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
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 proteinase 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 mexicana cathepsin L-like protease, putative 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
Plasmodium yoelii berghepain-2 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 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 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, 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
Theileria parva cysteine protease, putative 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 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
Onchocerca volvulus Cathepsin F homolog 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
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
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 cysteine peptidase, Clan CA, family C1, Cathepsin L-like 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
Plasmodium knowlesi knowpain-4 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 %
Plasmodium falciparum cysteine proteinase falcipain 1 cathepsin S 281 aa 226 aa 34.1 %
Plasmodium falciparum cysteine proteinase falcipain 1 cathepsin L 333 aa 359 aa 30.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Cathepsin L-like precursor 0.00541411 0.0235971 0.0560434
Onchocerca volvulus Cathepsin L homolog 0.0080879 0.20725 1
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0112006 0.421051 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0080879 0.20725 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0080879 0.20725 1
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0112006 0.421051 0.269695
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0112006 0.421051 1
Trypanosoma brucei lanosterol synthase 0.0196295 1 1
Leishmania major lanosterol synthase, putative 0.0196295 1 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0112006 0.421051 0.5
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.013033 0.546906 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0080879 0.20725 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0080879 0.20725 1
Entamoeba histolytica cysteine proteinase, putative 0.0080879 0.20725 1
Trypanosoma cruzi lanosterol synthase, putative 0.0196295 1 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0112006 0.421051 0.734555
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0112006 0.421051 0.407059
Trypanosoma cruzi lanosterol synthase, putative 0.0196295 1 1
Loa Loa (eye worm) IMP dehydrogenase 1 0.0112006 0.421051 1
Trypanosoma cruzi cysteine peptidase, putative 0.0080879 0.20725 0.188091
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0112006 0.421051 0.407059
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0080879 0.20725 1
Loa Loa (eye worm) hypothetical protein 0.0080879 0.20725 0.49222
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0080879 0.20725 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0080879 0.20725 1
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0112006 0.421051 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0080879 0.20725 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0080879 0.20725 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0080879 0.20725 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0080879 0.20725 0.49222
Entamoeba histolytica cysteine proteinase, putative 0.0080879 0.20725 1
Loa Loa (eye worm) hypothetical protein 0.00541411 0.0235971 0.0560434
Echinococcus granulosus cathepsin L cysteine proteinase 0.0080879 0.20725 0.462073
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0080879 0.20725 1
Echinococcus granulosus cathepsin l1 0.0080879 0.20725 0.462073
Onchocerca volvulus 0.0080879 0.20725 1
Leishmania major inosine-5-monophosphate dehydrogenase 0.0112006 0.421051 0.269695
Onchocerca volvulus 0.0080879 0.20725 1
Brugia malayi Cathepsin L-like precursor 0.0080879 0.20725 0.49222
Brugia malayi cathepsin L-like precursor 0.00541411 0.0235971 0.0560434
Onchocerca volvulus 0.0080879 0.20725 1
Brugia malayi Papain family cysteine protease containing protein 0.0080879 0.20725 0.49222
Schistosoma mansoni cathepsin F (C01 family) 0.0080879 0.20725 0.462073
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0112006 0.421051 1
Onchocerca volvulus 0.0080879 0.20725 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0080879 0.20725 1
Loa Loa (eye worm) ctsf protein 0.0080879 0.20725 0.49222
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0080879 0.20725 1
Toxoplasma gondii IMP dehydrogenas 0.0112006 0.421051 1
Brugia malayi Cathepsin L-like precursor 0.00541411 0.0235971 0.0560434
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0080879 0.20725 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0080879 0.20725 0.462073
Brugia malayi Cathepsin L-like precursor 0.0080879 0.20725 0.49222
Trypanosoma cruzi cysteine peptidase, putative 0.0080879 0.20725 0.188091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0080879 0.20725 1
Brugia malayi Cathepsin L-like precursor 0.0080879 0.20725 0.49222
Onchocerca volvulus Cathepsin L homolog 0.0080879 0.20725 1
Loa Loa (eye worm) hypothetical protein 0.00541411 0.0235971 0.0560434
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0080879 0.20725 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0080879 0.20725 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0112006 0.421051 1
Onchocerca volvulus 0.00541411 0.0235971 0.113858
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0080879 0.20725 1
Leishmania major guanosine monophosphate reductase 0.0112006 0.421051 0.269695
Onchocerca volvulus 0.0080879 0.20725 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0080879 0.20725 1
Brugia malayi Cathepsin L-like precursor 0.0080879 0.20725 0.49222
Trypanosoma brucei GMP reductase 0.0112006 0.421051 0.269695
Entamoeba histolytica cysteine protease, putative 0.0080879 0.20725 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0080879 0.20725 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0080879 0.20725 1
Onchocerca volvulus 0.0080879 0.20725 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.00541411 0.0235971 0.0560434
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0080879 0.20725 0.49222
Schistosoma mansoni cathepsin F (C01 family) 0.0080879 0.20725 0.462073
Trypanosoma cruzi cruzipain precursor, putative 0.0080879 0.20725 0.188091
Loa Loa (eye worm) fibroinase 0.0080879 0.20725 0.49222
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0080879 0.20725 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0080879 0.20725 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0080879 0.20725 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.00613008 0.0727742 0.172839
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0112006 0.421051 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0080879 0.20725 1
Brugia malayi Cathepsin L-like precursor 0.0080879 0.20725 0.49222
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0112006 0.421051 1
Trypanosoma cruzi cysteine peptidase, putative 0.0080879 0.20725 0.188091
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0112006 0.421051 0.407059
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0112006 0.421051 1
Trypanosoma cruzi cysteine peptidase, putative 0.0080879 0.20725 0.188091
Loa Loa (eye worm) hypothetical protein 0.00541411 0.0235971 0.0560434
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0112006 0.421051 1
Brugia malayi Cathepsin L-like precursor 0.0080879 0.20725 0.49222
Trypanosoma cruzi GMP reductase 0.0112006 0.421051 0.407059
Loa Loa (eye worm) cysteine protease 0.0080879 0.20725 0.49222
Onchocerca volvulus Cathepsin F homolog 0.0080879 0.20725 1
Trypanosoma cruzi GMP reductase 0.0112006 0.421051 0.407059
Onchocerca volvulus 0.0080879 0.20725 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 10000 nM Antimalarial activity against Plasmodium falciparum 3D7 infected in human erythrocytes after 4 hrs ChEMBL. 20979352
Ki (binding) = 0.947 uM Binding affinity against cathepsin K ChEMBL. 12270170
Ki (binding) = 0.947 uM Binding affinity against cathepsin K ChEMBL. 12270170
Ki (binding) = 4.5 uM Binding affinity of compound was evaluated against cathepsin S. ChEMBL. 12270170
Ki (binding) = 4.5 uM Binding affinity of compound was evaluated against cathepsin S. ChEMBL. 12270170
Ki (binding) = 16.7 uM Binding affinity of compound was evaluated against cathepsin L. ChEMBL. 12270170
Ki (binding) = 16.7 uM Binding affinity of compound was evaluated against cathepsin L. ChEMBL. 12270170
Ki (binding) > 150 uM Binding affinity against cathepsin B ChEMBL. 12270170
Ki (binding) > 150 uM Binding affinity against cathepsin B ChEMBL. 12270170

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 20979352

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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