Detailed information for compound 1414350

Basic information

Technical information
  • TDR Targets ID: 1414350
  • Name: phenylmethyl N-[(S)-[(1R,2R)-2-[(2S)-2-[[2-[[ (S)-[(1R,2R)-2-(dimethylcarbamoyl)-2-methylcy clopropyl]-phenylmethyl]amino]-2-oxoethyl]car bamoyl]pyrrolidine-1-carbonyl]-2-methylcyclop ropyl]-phenylmethyl]carbamate
  • MW: 707.858 | Formula: C41H49N5O6
  • H donors: 3 H acceptors: 5 LogP: 4.14 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N[C@@H]([C@@H]1C[C@@]1(C)C(=O)N(C)C)c1ccccc1)CNC(=O)[C@@H]1CCCN1C(=O)[C@]1(C)C[C@H]1[C@@H](c1ccccc1)NC(=O)OCc1ccccc1
  • InChi: 1S/C41H49N5O6/c1-40(37(49)45(3)4)23-30(40)34(28-17-10-6-11-18-28)43-33(47)25-42-36(48)32-21-14-22-46(32)38(50)41(2)24-31(41)35(29-19-12-7-13-20-29)44-39(51)52-26-27-15-8-5-9-16-27/h5-13,15-20,30-32,34-35H,14,21-26H2,1-4H3,(H,42,48)(H,43,47)(H,44,51)/t30-,31-,32-,34+,35+,40+,41+/m0/s1
  • InChiKey: XBXREUBDJPDSSL-RBEGQKAISA-N  


Substructure search Similarity search

Network

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Synonyms

  • phenylmethyl N-[(S)-[(1R,2R)-2-[(2S)-2-[[2-[[(S)-[(1R,2R)-2-(dimethylcarbamoyl)-2-methyl-cyclopropyl]-phenyl-methyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-cyclopropyl]-phenyl-methyl]carbamate
  • N-[(S)-[(1R,2R)-2-[[(2S)-2-[[[2-[[(S)-[(1R,2R)-2-(dimethylamino-oxomethyl)-2-methylcyclopropyl]-phenylmethyl]amino]-2-oxoethyl]amino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-2-methylcyclopropyl]-phenylmethyl]carbamic acid phenylmethyl ester
  • N-[(S)-[(1R,2R)-2-[(2S)-2-[[2-[[(S)-[(1R,2R)-2-(dimethylcarbamoyl)-2-methyl-cyclopropyl]-phenyl-methyl]amino]-2-keto-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-cyclopropyl]-phenyl-methyl]carbamic acid benzyl ester
  • phenylmethyl N-[(S)-[(1R,2R)-2-[(2S)-2-[[2-[[(S)-[(1R,2R)-2-(dimethylcarbamoyl)-2-methyl-cyclopropyl]-phenyl-methyl]amino]-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]carbonyl-2-methyl-cyclopropyl]-phenyl-methyl]carbamate
  • NCGC00092026-01
  • UPCMLD00WCRS-5-226
  • CMLD4_000296

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Trypanosoma cruzi cysteine peptidase, putative Starlite/ChEMBL No references
Homo sapiens core-binding factor, beta subunit No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana cathepsin L-like protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium vivax vivapain-2 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
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
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
Leishmania infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Theileria parva cysteine protease, 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
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
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
Plasmodium yoelii berghepain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium falciparum cysteine proteinase falcipain 3 Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium berghei berghepain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum expressed protein Get druggable targets OG5_126607 All targets in OG5_126607
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
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Onchocerca volvulus Cathepsin L homolog Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine protease, putative Get druggable targets OG5_126607 All targets in OG5_126607
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
Echinococcus multilocularis cathepsin L cysteine protease 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 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 cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
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 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 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-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
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
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
Brugia malayi Cathepsin L-like precursor 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
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Onchocerca volvulus Cathepsin L homolog Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Theileria parva cysteine proteinase 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 cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
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
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
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
Echinococcus multilocularis cathepsin l cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana 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 mexicana Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis Clan CA, family C1, cathepsin L-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
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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase Get druggable targets OG5_126607 All targets in OG5_126607
Schistosoma japonicum Cathepsin L-like proteinase precursor, putative Get druggable targets OG5_126607 All targets in OG5_126607
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
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
Plasmodium knowlesi knowpain-3 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 falciparum cysteine proteinase falcipain 2a Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni cathepsin F (C01 family) 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 cysteine peptidase A (CPA) 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
Plasmodium knowlesi knowpain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Echinococcus granulosus cathepsin l1 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
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
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Onchocerca volvulus 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
Trypanosoma cruzi cysteine peptidase, 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
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
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
Loa Loa (eye worm) hypothetical protein 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
Echinococcus granulosus cathepsin l1 Get druggable targets OG5_126607 All targets in OG5_126607
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Toxoplasma gondii cathepsin CPL 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 gambiense cysteine peptidase precursor,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
Leishmania major cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Plasmodium vivax vivapain-2 Get druggable targets OG5_126607 All targets in OG5_126607
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cathepsin L-like protease Get druggable targets OG5_126607 All targets in OG5_126607
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126607 All targets in OG5_126607
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
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) ctsf 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
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
Brugia malayi Cathepsin L-like precursor Get druggable targets OG5_126607 All targets in OG5_126607
Onchocerca volvulus Get druggable targets OG5_126607 All targets in OG5_126607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
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
Leishmania mexicana cysteine peptidase A (CBA) 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 congolense cysteine peptidase, Clan CA, family C1, Cathepsin L-like Get druggable targets OG5_126607 All targets in OG5_126607
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
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) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
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
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 or K-like cysteine peptidase 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
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 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
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
Leishmania mexicana 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
Echinococcus multilocularis cathepsin L cysteine protease 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
Brugia malayi Cathepsin L-like 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
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
Leishmania major 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
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis 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 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
Brugia malayi Papain family cysteine protease containing protein Get druggable targets OG5_126607 All targets in OG5_126607
Cryptosporidium hominis cryptopain precursor 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
Leishmania donovani 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
Trypanosoma cruzi cysteine peptidase, putative 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
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0122 0.1982 0.3466
Loa Loa (eye worm) hypothetical protein 0.002 0.0005 0.0005
Echinococcus multilocularis Furin 1 0.0122 0.1982 0.2568
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1104 1
Brugia malayi endoprotease bli-4 precursor 0.0518 0.9665 0.9665
Brugia malayi proprotein convertase 2 0.0325 0.5927 0.5927
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylenolpyruvoylglucosamine reductase 0.0529 0.9883 0.5
Onchocerca volvulus 0.0246 0.439 0.439
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0022 0.0037 0.0335
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0005 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1553 0.2714
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0005 0.0005
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1553 0.2714
Chlamydia trachomatis UDP-N-acetylenolpyruvoylglucosamine reductase 0.0529 0.9883 0.5
Onchocerca volvulus 0.0535 1 1
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.01 0.1553 0.2714
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.021 0.0217
Loa Loa (eye worm) hypothetical protein 0.0203 0.3552 0.3552
Mycobacterium leprae PROBABLE UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE MURB (UDP-N-ACETYLMURAMATE DEHYDROGENASE) 0.0529 0.9883 1
Leishmania major cathepsin L-like protease 0.0077 0.1104 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Loa Loa (eye worm) hypothetical protein 0.0518 0.9665 0.9665
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1104 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0315 0.572 1
Toxoplasma gondii subtilisin SUB5 0.0022 0.0037 0.1762
Toxoplasma gondii subtilisin SUB10 0.0022 0.0037 0.1762
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0022 0.0037 0.0335
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0123 0.1988 0.2576
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Entamoeba histolytica cysteine proteinase, putative 0.002 0 0.5
Plasmodium vivax subtilisin-like protease 1 0.0022 0.0037 0.1762
Plasmodium vivax subtilisin-like serine protease, putative 0.0022 0.0037 0.1762
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1104 1
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.1104 1
Schistosoma mansoni polycystin 1-related 0.002 0.0005 0.0005
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0022 0.0037 0.0037
Brugia malayi celfurPC protein 0.0417 0.7719 0.7719
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0037 0.0065
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.1104 1
Leishmania major cathepsin L-like protease 0.0077 0.1104 1
Loa Loa (eye worm) endoprotease bli-4 0.0518 0.9665 0.9665
Trypanosoma cruzi major cysteine proteinase, putative 0.0061 0.0784 0.7098
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1104 1
Loa Loa (eye worm) hypothetical protein 0.0535 1 1
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0022 0.0037 0.0048
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Toxoplasma gondii subtilisin SUB8 0.0022 0.0037 0.1762
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0122 0.1982 0.3466
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1104 1
Trypanosoma cruzi cruzipain precursor, putative 0.0077 0.1104 1
Schistosoma mansoni rab6-interacting 0.002 0.0005 0.0005
Echinococcus granulosus membrane bound transcription factor site 1 0.0022 0.0037 0.0038
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Mycobacterium tuberculosis Probable UDP-N-acetylenolpyruvoylglucosamine reductase MurB (UDP-N-acetylmuramate dehydrogenase) 0.0529 0.9883 1
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1553 0.2714
Echinococcus granulosus neuroendocrine convertase 2 0.0325 0.5927 0.6133
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1553 0.2714
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0037 0.0065
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.021 0.0272
Schistosoma mansoni hypothetical protein 0.01 0.1553 0.1606
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0122 0.1982 0.3466
Treponema pallidum UDP-N-acetylenolpyruvoylglucosamine reductase 0.0529 0.9883 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0315 0.572 1
Brugia malayi neuroendocrine convertase 1 precursor 0.0325 0.5927 0.5927
Brugia malayi hypothetical protein 0.002 0.0005 0.0005
Leishmania major cathepsin L-like protease 0.0077 0.1104 1
Loa Loa (eye worm) doublecortin family protein 0.002 0.0005 0.0005
Plasmodium falciparum subtilisin-like protease 2 0.0022 0.0037 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Leishmania major subtilisin-like serine peptidase 0.0022 0.0037 0.0335
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0123 0.1988 0.2057
Loa Loa (eye worm) hypothetical protein 0.002 0.0005 0.0005
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0022 0.0037 0.0037
Schistosoma mansoni lipoxygenase 0.0123 0.1988 0.2057
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.021 0.0217
Schistosoma mansoni site-1 peptidase (S08 family) 0.0022 0.0037 0.0038
Loa Loa (eye worm) hypothetical protein 0.0031 0.021 0.021
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.021 1
Brugia malayi Doublecortin family protein 0.002 0.0005 0.0005
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1104 1
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0315 0.572 0.741
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0022 0.0037 0.0038
Loa Loa (eye worm) proprotein convertase 2 0.0122 0.1982 0.1982
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0122 0.1982 0.3466
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.01 0.1553 0.2714
Toxoplasma gondii subtilisin SUB7 0.0022 0.0037 0.1762
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1104 1
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0037 0.0065
Giardia lamblia High cysteine membrane protein Group 2 0.0192 0.3344 1
Loa Loa (eye worm) subtilase 0.0022 0.0037 0.0037
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1104 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Toxoplasma gondii subtilisin SUB12 0.0022 0.0037 0.1762
Toxoplasma gondii subtilisin SUB2 0.0022 0.0037 0.1762
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Toxoplasma gondii subtilisin SUB4 0.0022 0.0037 0.1762
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0518 0.9665 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0122 0.1982 0.3466
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0122 0.1982 0.3466
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1553 0.2714
Trichomonas vaginalis set domain proteins, putative 0.0246 0.439 0.7675
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1104 1
Echinococcus granulosus furin 0.0518 0.9665 1
Schistosoma mansoni lipoxygenase 0.0086 0.1272 0.1316
Schistosoma mansoni loxhd1 0.002 0.0005 0.0005
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Loa Loa (eye worm) hypothetical protein 0.0535 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0216 0.3809 0.3809
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Echinococcus multilocularis 0.0417 0.7719 1
Toxoplasma gondii subtilisin SUB1 0.0022 0.0037 0.1762
Echinococcus multilocularis Protein lozenge 0.0067 0.0911 0.118
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0005 0.0007
Echinococcus granulosus RUN 0.002 0.0005 0.0005
Onchocerca volvulus 0.002 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0022 0.0037 0.0037
Trichomonas vaginalis hypothetical protein 0.01 0.1553 0.2714
Trypanosoma cruzi cysteine peptidase, putative 0.0077 0.1104 1
Entamoeba histolytica cysteine proteinase, putative 0.002 0 0.5
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.01 0.1553 0.2714
Echinococcus multilocularis RUN 0.002 0.0005 0.0007
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0315 0.572 0.5918
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1553 0.2714
Echinococcus granulosus Furin 1 0.0122 0.1982 0.2051
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.021 0.0217
Loa Loa (eye worm) runx1 0.0067 0.0911 0.0911
Mycobacterium ulcerans UDP-N-acetylenolpyruvoylglucosamine reductase 0.0529 0.9883 1
Brugia malayi Subtilase family protein 0.0022 0.0037 0.0037
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0005 0.0248
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1553 0.2714
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1553 0.2714
Schistosoma mansoni hypothetical protein 0.002 0.0005 0.0005
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Plasmodium vivax subtilisin-like protease 2, putative 0.0022 0.0037 0.1762
Toxoplasma gondii subtilisin SUB9 0.0022 0.0037 0.1762
Toxoplasma gondii subtilisin SUB6 0.0022 0.0037 0.1762
Plasmodium falciparum subtilisin-like protease 1 0.0022 0.0037 1
Brugia malayi Pre-SET motif family protein 0.0216 0.3809 0.3809
Onchocerca volvulus 0.0022 0.0037 0.0037
Entamoeba histolytica cysteine protease, putative 0.002 0 0.5
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0005 0.0007
Schistosoma mansoni lozenge 0.0067 0.0911 0.0942
Plasmodium vivax SET domain protein, putative 0.0031 0.021 1
Schistosoma mansoni furin-1 (S08 family) 0.0225 0.3982 0.412
Plasmodium falciparum subtilisin-like protease 3 0.0022 0.0037 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.021 0.0217
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.021 0.0272
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0037 0.0065
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0005 0.0005
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0022 0.0037 0.0335
Onchocerca volvulus 0.0031 0.021 0.021
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0005 0.0005
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0188 0.0194
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1104 1
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0022 0.0037 0.0038
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0022 0.0037 0.0038
Schistosoma mansoni rab6-interacting 0.002 0.0005 0.0005
Toxoplasma gondii subtilisin SUB11 0.0022 0.0037 0.1762
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Brugia malayi hypothetical protein 0.002 0.0005 0.0005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.021 0.0217
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.007 0.0974 0.8824
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Echinococcus multilocularis neuroendocrine convertase 2 0.0325 0.5927 0.7679
Brugia malayi Pre-SET motif family protein 0.0031 0.021 0.021
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Onchocerca volvulus 0.002 0.0005 0.0005
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0122 0.1982 0.2051
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0037 0.0065
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0022 0.0037 0.0065
Trypanosoma cruzi subtilisin peptidase 0.0022 0.0037 0.0335
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0077 0.1104 1
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1553 0.2714
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1553 0.2714
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0005 0.1406
Echinococcus multilocularis membrane bound transcription factor site 1 0.0022 0.0037 0.0048
Trichomonas vaginalis conserved hypothetical protein 0.01 0.1553 0.2714
Schistosoma mansoni site-1 peptidase (S08 family) 0.0022 0.0037 0.0038

Activities

Activity type Activity value Assay description Source Reference
Potency (ADMET) = 0.3981 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 0.3981 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (binding) 6.3096 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) = 12.5893 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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