TDR Targets

Basic information

Technical information

TDR Targets ID: 339077
Name: [(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl] N-[( 3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]he ptan-3-yl]carbamate
MW: 417.499 | Formula: C22H31N3O5
H donors: 3 H acceptors: 4 LogP: 3.24 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CCCC[C@@H](C(=O)C(=O)N[C@@H](c1ccccc1)C)NC(=O)O[C@@H]1C(=O)NCC1(C)C
InChi: 1S/C22H31N3O5/c1-5-6-12-16(25-21(29)30-18-20(28)23-13-22(18,3)4)17(26)19(27)24-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,28)(H,24,27)(H,25,29)/t14-,16+,18-/m1/s1
InChiKey: CPDXLXNCBNKLMG-UWWQBHOKSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

[(3S)-4,4-dimethyl-2-oxo-pyrrolidin-3-yl] N-[(1S)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]acetyl]pentyl]carbamate
N-[(1S)-1-[1,2-dioxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pentyl]carbamic acid [(3S)-4,4-dimethyl-2-oxo-3-pyrrolidinyl] ester
[(3S)-4,4-dimethyl-2-oxo-pyrrolidin-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
N-[(1S)-1-[2-keto-2-[[(1R)-1-phenylethyl]amino]acetyl]pentyl]carbamic acid [(3S)-2-keto-4,4-dimethyl-pyrrolidin-3-yl] ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cathepsin B	Starlite/ChEMBL	References
Homo sapiens	cathepsin K	Starlite/ChEMBL	References
Homo sapiens	cathepsin L	Starlite/ChEMBL	References
Homo sapiens	cathepsin H	Starlite/ChEMBL	References
Homo sapiens	cathepsin S	Starlite/ChEMBL	References
Homo sapiens	cathepsin V	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Trypanosoma cruzi	cruzipain precursor, 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
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
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
Echinococcus multilocularis	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma cruzi	cysteine peptidase, putative	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	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania braziliensis	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
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
Schistosoma japonicum	Cathepsin L-like proteinase precursor, 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
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, 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
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Cryptosporidium hominis	cryptopain precursor	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	Get druggable targets OG5_127800	All targets in OG5_127800
Brugia malayi	Cathepsin L-like precursor	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania mexicana	cathepsin L-like protease, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma 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 cruzi	cysteine peptidase, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Plasmodium berghei	berghepain-2	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania major	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
Brugia malayi	Papain family cysteine protease containing protein	Get druggable targets OG5_126607	All targets in OG5_126607
Echinococcus multilocularis	cysteine protease	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma brucei	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
Echinococcus granulosus	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Onchocerca volvulus		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
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 congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Loa Loa (eye worm)	hypothetical 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
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
Plasmodium yoelii	berghepain-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
Echinococcus granulosus	cathepsin l1	Get druggable targets OG5_126607	All targets in OG5_126607
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma brucei	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
Onchocerca volvulus		Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania mexicana		Get druggable targets OG5_126607	All targets in OG5_126607
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
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
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Neospora caninum	Cathepsin L, related	Get druggable targets OG5_126607	All targets in OG5_126607
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	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
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
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		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
Neospora caninum	Cathepsin B-like protease (Precursor), related	Get druggable targets OG5_127800	All targets in OG5_127800
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	Get druggable targets OG5_127800	All targets in OG5_127800
Theileria parva	cysteine protease, 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
Giardia lamblia	Cathepsin B precursor	Get druggable targets OG5_127800	All targets in OG5_127800
Plasmodium knowlesi	knowpain-2	Get druggable targets OG5_126607	All targets in OG5_126607
Onchocerca volvulus		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
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
Leishmania infantum	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	Get druggable targets OG5_127800	All targets in OG5_127800
Loa Loa (eye worm)	cysteine protease	Get druggable targets OG5_126607	All targets in OG5_126607
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127800	All targets in OG5_127800
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
Leishmania mexicana		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
Plasmodium knowlesi	knowpain-3	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
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
Entamoeba histolytica	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
Trichomonas vaginalis	Clan CA, family C1, papain-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
Brugia malayi	Cathepsin L-like precursor	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 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
Leishmania mexicana	cysteine peptidase A (CBA)	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
Theileria parva	cysteine protease, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania mexicana		Get druggable targets OG5_126607	All targets in OG5_126607
Theileria parva	cysteine proteinase, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Toxoplasma gondii	cathepsin B	Get druggable targets OG5_127800	All targets in OG5_127800
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
Toxoplasma gondii	cathepsin CPL	Get druggable targets OG5_126607	All targets in OG5_126607
Entamoeba histolytica	cysteine proteinase, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma cruzi	cysteine peptidase, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania donovani	cysteine peptidase A (CBA)	Get druggable targets OG5_126607	All targets in OG5_126607
Brugia malayi	cathepsin B-like cysteine proteinase	Get druggable targets OG5_127800	All targets in OG5_127800
Giardia lamblia	Cathepsin B precursor	Get druggable targets OG5_127800	All targets in OG5_127800
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
Theileria parva	cysteine proteinase, putative	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 braziliensis	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
Onchocerca volvulus		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
Plasmodium knowlesi	knowpain-4	Get druggable targets OG5_126607	All targets in OG5_126607
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
Brugia malayi	Cathepsin L-like precursor	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma brucei gambiense	cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
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
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, papain-like cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania donovani	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
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 congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus granulosus	cathepsin l cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Cryptosporidium parvum	cryptopain - cysteine proteinase secreted, possible transmembrane domain near N-terminus	Get druggable targets OG5_126607	All targets in OG5_126607
Trichomonas vaginalis	Clan CA, family C1, papain-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
Leishmania major	cathepsin L-like protease	Get druggable targets OG5_126607	All targets in OG5_126607
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
Brugia malayi	cathepsin L-like precursor	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
Onchocerca volvulus		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 C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus multilocularis	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
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
Echinococcus multilocularis	cysteine protease	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	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
Schistosoma japonicum	ko:K01363 cathepsin B [EC3.4.22.1], putative	Get druggable targets OG5_127800	All targets in OG5_127800
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 C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
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
Entamoeba histolytica	cysteine proteinase, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Schistosoma japonicum	expressed 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
Plasmodium vivax	vivapain-2	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma brucei	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania braziliensis	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	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
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
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus granulosus	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Brugia malayi	Cathepsin L-like precursor	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 C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania braziliensis	cysteine peptidase A (CPA)	Get druggable targets OG5_126607	All targets in OG5_126607
Echinococcus granulosus	cathepsin l1	Get druggable targets OG5_126607	All targets in OG5_126607
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
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
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Trichomonas vaginalis	Clan CA, family C1, papain-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 C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Giardia lamblia	Cathepsin B precursor	Get druggable targets OG5_127800	All targets in OG5_127800
Onchocerca volvulus	Cathepsin L homolog	Get druggable targets OG5_126607	All targets in OG5_126607
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126607	All targets in OG5_126607
Echinococcus multilocularis	cathepsin L cysteine protease	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
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
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)	cathepsin B	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania mexicana		Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania mexicana	cathepsin L-like protease, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
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 C (CPC), putative,CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	SmCB2 peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	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 V	334 aa	357 aa	29.7 %
Plasmodium falciparum	dipeptidyl aminopeptidase 1	cathepsin B	339 aa	368 aa	26.9 %
Plasmodium falciparum	cysteine proteinase falcipain 2b	cathepsin H	335 aa	340 aa	33.2 %
Plasmodium falciparum	cysteine proteinase falcipain 1	cathepsin L	333 aa	359 aa	30.1 %
Plasmodium falciparum	cysteine proteinase falcipain 1	cathepsin S	281 aa	226 aa	34.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	cysteine peptidase, putative	0.0127	0.4496	0.4496
Leishmania major	cathepsin L-like protease	0.0127	0.4496	1
Onchocerca volvulus	Cathepsin F homolog	0.0127	0.4496	1
Toxoplasma gondii	cathepsin CPL	0.0127	0.4496	1
Brugia malayi	Cathepsin L-like precursor	0.0127	0.4496	0.4496
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.4496	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0127	0.4496	1
Onchocerca volvulus		0.0127	0.4496	1
Leishmania major	cathepsin L-like protease	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.4496	1
Brugia malayi	Cathepsin L-like precursor	0.0127	0.4496	0.4496
Plasmodium vivax	vivapain-2	0.0127	0.4496	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0664	0.0228
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0127	0.4496	0.4496
Plasmodium vivax	vivapain-2	0.0127	0.4496	1
Echinococcus multilocularis	cathepsin b	0.0191	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0191	1	1
Echinococcus multilocularis	cysteine protease	0.0127	0.4496	0.4496
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.4496	1
Brugia malayi	Papain family cysteine protease containing protein	0.0127	0.4496	0.4496
Brugia malayi	cathepsin L-like precursor	0.0082	0.0664	0.0664
Echinococcus granulosus	cathepsin b	0.0191	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0082	0.0664	0.1477
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.4496	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0127	0.4496	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0127	0.4496	0.4496
Leishmania major	cathepsin L-like protease	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.4496	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0127	0.4496	0.4496
Onchocerca volvulus		0.0127	0.4496	1
Giardia lamblia	Cathepsin B precursor	0.008	0.0446	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.008	0.0446	0.0446
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0082	0.0664	0.0664
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.4496	1
Brugia malayi	Cathepsin L-like precursor	0.0127	0.4496	0.4496
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.4496	1
Brugia malayi	Cathepsin L-like precursor	0.0082	0.0664	0.0664
Brugia malayi	Cathepsin L-like precursor	0.0127	0.4496	0.4496
Leishmania major	cysteine peptidase A (CPA)	0.0127	0.4496	1
Giardia lamblia	Cathepsin B precursor	0.008	0.0446	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0082	0.0664	0.1477
Onchocerca volvulus	Cathepsin L homolog	0.0127	0.4496	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0664	0.0228
Echinococcus multilocularis	cathepsin L cysteine protease	0.0127	0.4496	0.4496
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.4496	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.4496	1
Leishmania major	cathepsin L-like protease	0.0127	0.4496	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0082	0.0664	0.0664
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0191	1	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.008	0.0446	0.0992
Loa Loa (eye worm)	ctsf protein	0.0127	0.4496	0.4239
Onchocerca volvulus		0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.4496	1
Loa Loa (eye worm)	cysteine protease	0.0127	0.4496	0.4239
Loa Loa (eye worm)	hypothetical protein	0.0127	0.4496	0.4239
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.4496	1
Entamoeba histolytica	cysteine proteinase, putative	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.4496	1
Entamoeba histolytica	cysteine proteinase, putative	0.0082	0.0664	0.1477
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.4496	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0127	0.4496	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0191	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0127	0.4496	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0127	0.4496	0.4496
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0191	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.4496	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0127	0.4496	0.4239
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.4496	1
Loa Loa (eye worm)	hypothetical protein	0.0191	1	1
Leishmania major	cathepsin L-like protease	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.4496	1
Echinococcus granulosus	cathepsin l1	0.0127	0.4496	0.4496
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0127	0.4496	0.4496
Leishmania major	cathepsin L-like protease	0.0127	0.4496	1
Brugia malayi	Cathepsin L-like precursor	0.0082	0.0664	0.0664
Brugia malayi	Cathepsin L-like precursor	0.0127	0.4496	0.4496
Brugia malayi	Cathepsin L-like precursor	0.0127	0.4496	0.4496
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.4496	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.4496	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0127	0.4496	0.4496
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0664	0.0228
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0127	0.4496	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0191	1	1
Onchocerca volvulus		0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.4496	1
Onchocerca volvulus	Cathepsin L homolog	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.4496	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.4496	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.4496	1
Leishmania major	cathepsin L-like protease	0.0127	0.4496	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.4496	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0127	0.4496	0.4239
Onchocerca volvulus		0.0127	0.4496	1
Giardia lamblia	Cathepsin B precursor	0.008	0.0446	0.5
Echinococcus multilocularis	cysteine protease	0.0127	0.4496	0.4496
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.4496	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.008	0.0446	0.0446
Onchocerca volvulus		0.0127	0.4496	1
Echinococcus granulosus	cathepsin l1	0.0082	0.0664	0.0664
Entamoeba histolytica	cysteine protease, putative	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.008	0.0446	0.0992
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.4496	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.4496	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0127	0.4496	0.4496
Trypanosoma cruzi	cruzipain precursor, putative	0.0127	0.4496	0.4496
Schistosoma mansoni	cathepsin F (C01 family)	0.0082	0.0664	0.0664
Loa Loa (eye worm)	fibroinase	0.0127	0.4496	0.4239
Onchocerca volvulus		0.0127	0.4496	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0127	0.4496	0.4496
Leishmania major	cathepsin L-like protease	0.0127	0.4496	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0127	0.4496	0.4496
Echinococcus multilocularis	cathepsin b	0.0191	1	1
Echinococcus granulosus	cathepsin b	0.0191	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0127	0.4496	0.4496

Activities

Activity type	Activity value	Assay description	Source	Reference
C1 (ADMET)	= 48 ml min-1 kg-1	Total clearance of the compound after intravenous administration of 2.5 mg/kg in rats was determined	ChEMBL.	15837295
cLogP	= 4.6	cLog P value of the compound was determined	ChEMBL.	15837295
F (ADMET)	= 25 %	Oral bioavailability in rat (dose 5 mg/kg i.v.)	ChEMBL.	15837295
IC50 (binding)	= 2.5 nM	Inhibitory concentration against human cathepsin K	ChEMBL.	15837295
IC50 (binding)	= 2.5 nM	Inhibitory concentration against human cathepsin K	ChEMBL.	15837295
IC50 (binding)	= 18 nM	Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	= 18 nM	Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	= 29 nM	Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	= 29 nM	Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	= 150 nM	Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	= 150 nM	Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	= 1400 nM	Inhibitory concentration against human cathepsin B by fluorescence assay using 10 uM Cbz-Phe-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	= 1400 nM	Inhibitory concentration against human cathepsin B by fluorescence assay using 10 uM Cbz-Phe-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	> 13000 nM	Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide	ChEMBL.	15837295
IC50 (binding)	> 13000 nM	Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide	ChEMBL.	15837295
Solubility (ADMET)	= 0.8 mg ml-1	Equilibrium solubility in fasted state-simulated intestinal fluid at pH 6.8 was determined	ChEMBL.	15837295
T1/2 (ADMET)	= 62 min	Half-life of the compound after intravenous administration of 2.5 mg/kg in rats was determined	ChEMBL.	15837295
Vss (ADMET)	= 1300 ml kg-1	Steady state volume of distribution of the compound after intravenous administration of 2.5 mg/kg in rats was determined	ChEMBL.	15837295

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

ChEMBL: CHEMBL194068
PubChem: 11502586

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 339077