TDR Targets

Basic information

Technical information

TDR Targets ID: 341933
Name: [(3S)-4,4-dimethyl-2-oxooxolan-3-yl] N-[(3S)- 1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan -3-yl]carbamate
MW: 418.483 | Formula: C22H30N2O6
H donors: 2 H acceptors: 4 LogP: 3.81 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)OCC1(C)C
InChi: 1S/C22H30N2O6/c1-5-6-12-16(24-21(28)30-18-20(27)29-13-22(18,3)4)17(25)19(26)23-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,26)(H,24,28)/t14-,16+,18-/m1/s1
InChiKey: HYVXUIONWPXUDB-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-tetrahydrofuran-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-tetrahydrofuranyl] ester
[(3S)-4,4-dimethyl-2-oxo-oxolan-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-tetrahydrofuran-3-yl] ester

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Giardia lamblia	Cathepsin B precursor	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
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
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 F homolog	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
Plasmodium knowlesi	knowpain-3	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania mexicana		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	cysteine peptidase A (CPA)	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 japonicum	Cathepsin B-like cysteine proteinase precursor, putative	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
Trypanosoma cruzi	cysteine peptidase, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Onchocerca volvulus		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 B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus multilocularis	cathepsin l 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
Leishmania donovani	cysteine peptidase A (CBA)	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 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
Echinococcus granulosus	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus multilocularis	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
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
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
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	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
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
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
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
Cryptosporidium hominis	cryptopain precursor	Get druggable targets OG5_126607	All targets in OG5_126607
Onchocerca volvulus	Cathepsin L homolog	Get druggable targets OG5_126607	All targets in OG5_126607
Schistosoma mansoni	cathepsin F (C01 family)	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
Trypanosoma cruzi	cysteine peptidase, 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, 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
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
Schistosoma mansoni	cathepsin F (C01 family)	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
Plasmodium berghei	berghepain-2	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	cysteine protease	Get druggable targets OG5_126607	All targets in OG5_126607
Onchocerca volvulus		Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
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 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
Plasmodium knowlesi	knowpain-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
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
Neospora caninum	Cathepsin L, related	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
Loa Loa (eye worm)	fibroinase	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
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
Schistosoma japonicum	ko:K01363 cathepsin B [EC3.4.22.1], putative	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus granulosus	cathepsin l1	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
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
Onchocerca volvulus		Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania major	cathepsin L-like protease	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
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
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
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
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 brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania mexicana		Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Brugia malayi	Papain family cysteine protease containing protein	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
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
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	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
Leishmania mexicana	cysteine peptidase A (CBA)	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
Echinococcus multilocularis	cathepsin L cysteine protease	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania mexicana	cathepsin L-like protease, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
Trichomonas vaginalis	Clan CA, family C1, 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 cysteine proteinase	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
Cryptosporidium parvum	cryptopain - cysteine proteinase secreted, possible transmembrane domain near N-terminus	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
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Entamoeba histolytica	cysteine protease, 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
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
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania donovani	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	cathepsin F (C01 family)	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
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
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	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 C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
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
Plasmodium falciparum	cysteine proteinase falcipain 2a	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
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
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania mexicana		Get druggable targets OG5_126607	All targets in OG5_126607
Loa Loa (eye worm)	cathepsin B	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
Toxoplasma gondii	cathepsin CPL	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
Plasmodium vivax	vivapain-2	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania infantum	cathepsin L-like protease	Get druggable targets OG5_126607	All targets in OG5_126607
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126607	All targets in OG5_126607
Plasmodium vivax	vivapain-2	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania braziliensis	cathepsin L-like protease	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania braziliensis	cysteine peptidase A (CPA)	Get druggable targets OG5_126607	All targets in OG5_126607
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
Plasmodium falciparum	cysteine proteinase falcipain 2b	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
Entamoeba histolytica	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
Echinococcus multilocularis	cathepsin L cysteine 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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	expressed protein	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
Neospora caninum	Cathepsin B-like protease (Precursor), related	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
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Onchocerca volvulus		Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania major	cathepsin L-like protease	Get druggable targets OG5_126607	All targets in OG5_126607
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Onchocerca volvulus		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, 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
Trypanosoma cruzi	cysteine peptidase, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania braziliensis	cathepsin L-like protease	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
Plasmodium falciparum	cysteine proteinase falcipain 3	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania infantum	cathepsin L-like protease	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania mexicana		Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma congolense	cysteine peptidase C (CPC)	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
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
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 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
Echinococcus granulosus	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
Brugia malayi	cathepsin B-like cysteine proteinase	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
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 braziliensis	cathepsin L-like protease	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 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
Echinococcus multilocularis	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
Trypanosoma congolense	cysteine peptidase C (CPC)	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
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus granulosus	cathepsin L cysteine proteinase	Get druggable targets OG5_126607	All targets in OG5_126607
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	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
Echinococcus granulosus	cathepsin l1	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
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
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
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
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	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	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
Plasmodium falciparum	dipeptidyl aminopeptidase 1	cathepsin B	339 aa	368 aa	26.9 %
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 %
Plasmodium falciparum	cysteine proteinase falcipain 1	cathepsin V	334 aa	357 aa	29.7 %
Plasmodium falciparum	cysteine proteinase falcipain 2b	cathepsin H	335 aa	340 aa	33.2 %
Plasmodium falciparum	cysteine proteinase falcipain 1	cathepsin K	329 aa	349 aa	33.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1292	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.1292	1
Leishmania major	cathepsin L-like protease	0.0127	0.1292	1
Brugia malayi	Cathepsin L-like precursor	0.0127	0.1292	0.4104
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1292	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.1292	0.1292
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.1292	0.1292
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.1292	1
Leishmania major	ribonuclease H1, putative	0.0118	0.1065	0.8244
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.1292	0.1292
Onchocerca volvulus		0.0127	0.1292	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0127	0.1292	0.4239
Brugia malayi	RNase H family protein	0.0118	0.1065	0.3343
Loa Loa (eye worm)	hypothetical protein	0.0082	0.007	0.0228
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.1292	1
Onchocerca volvulus		0.0127	0.1292	1
Brugia malayi	Cathepsin L-like precursor	0.0127	0.1292	0.4104
Entamoeba histolytica	cysteine proteinase, putative	0.0127	0.1292	1
Onchocerca volvulus	Ribonuclease H1 homolog	0.0118	0.1065	0.8144
Plasmodium vivax	vivapain-2	0.0127	0.1292	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1292	1
Loa Loa (eye worm)	hypothetical protein	0.0191	0.3048	1
Echinococcus multilocularis	cathepsin b	0.0191	0.3048	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.1292	0.1292
Trypanosoma brucei	RNA helicase, putative	0.0444	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0127	0.1292	0.4239
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1292	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0191	0.3048	1
Trypanosoma brucei	hypothetical protein, conserved	0.0128	0.1341	0.1341
Brugia malayi	RNase H family protein	0.0118	0.1065	0.3343
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0127	0.1292	0.1144
Giardia lamblia	Ribonuclease H	0.0118	0.1065	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1292	1
Trichomonas vaginalis	ribonuclease H1, putative	0.0118	0.1065	0.8244
Schistosoma mansoni	cathepsin F (C01 family)	0.0082	0.007	0.007
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.1292	1
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0128	0.1341	0.1341
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.1292	0.1292
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.1292	1
Brugia malayi	Cathepsin L-like precursor	0.0127	0.1292	0.4104
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0127	0.1292	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.1292	1
Leishmania major	cathepsin L-like protease	0.0127	0.1292	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.1292	0.1292
Trypanosoma cruzi	ribonuclease H1, putative	0.0118	0.1065	0.3495
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0127	0.1292	1
Echinococcus multilocularis	cysteine protease	0.0127	0.1292	0.1144
Echinococcus multilocularis	cysteine protease	0.0127	0.1292	0.1144
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.1292	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0127	0.1292	0.1144
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.1292	0.1292
Loa Loa (eye worm)	ctsf protein	0.0127	0.1292	0.4239
Trypanosoma cruzi	cysteine peptidase, putative	0.0127	0.1292	0.4239
Brugia malayi	Cathepsin L-like precursor	0.0127	0.1292	0.4104
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0082	0.007	0.0228
Plasmodium vivax	vivapain-2	0.0127	0.1292	0.5
Onchocerca volvulus		0.0127	0.1292	1
Leishmania major	cathepsin L-like protease	0.0127	0.1292	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0127	0.1292	1
Brugia malayi	Papain family cysteine protease containing protein	0.0127	0.1292	0.4104
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1292	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0127	0.1292	0.4239
Trypanosoma cruzi	ribonuclease H1, putative	0.0118	0.1065	0.3495
Brugia malayi	RNase H family protein	0.0118	0.1065	0.3343
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.1292	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1292	1
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0118	0.1065	0.5
Leishmania major	cathepsin L-like protease	0.0127	0.1292	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1292	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0191	0.3048	0.3048
Trypanosoma cruzi	cruzipain precursor, putative	0.0127	0.1292	0.4239
Schistosoma mansoni	cathepsin F (C01 family)	0.0127	0.1292	0.1292
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1292	1
Toxoplasma gondii	cathepsin CPL	0.0127	0.1292	1
Leishmania major	cathepsin L-like protease	0.0127	0.1292	1
Onchocerca volvulus	Cathepsin L homolog	0.0127	0.1292	1
Leishmania major	cathepsin L-like protease	0.0127	0.1292	1
Onchocerca volvulus		0.0127	0.1292	1
Leishmania major	cathepsin L-like protease	0.0127	0.1292	1
Schistosoma mansoni	phosphoglucomutase	0.0118	0.1065	0.1065
Echinococcus multilocularis	cathepsin L cysteine protease	0.0127	0.1292	0.1144
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0127	0.1292	0.4104
Trypanosoma brucei	unspecified product	0.0128	0.1341	0.1341
Onchocerca volvulus		0.0127	0.1292	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1292	1
Echinococcus granulosus	cathepsin b	0.0191	0.3048	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.1292	0.1292
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0191	0.3048	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0191	0.3048	0.3048
Brugia malayi	Cathepsin L-like precursor	0.0127	0.1292	0.4104
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0127	0.1292	0.4239
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0082	0.007	0.0539
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0191	0.3048	0.3048
Schistosoma mansoni	phosphoglucomutase	0.0118	0.1065	0.1065
Loa Loa (eye worm)	fibroinase	0.0127	0.1292	0.4239
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1292	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0127	0.1292	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.1292	0.1292
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0127	0.1292	0.5
Loa Loa (eye worm)	cysteine protease	0.0127	0.1292	0.4239
Brugia malayi	Cathepsin L-like precursor	0.0127	0.1292	0.4104
Onchocerca volvulus		0.0127	0.1292	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0127	0.1292	0.1292
Onchocerca volvulus		0.0127	0.1292	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1292	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1292	1
Echinococcus multilocularis	cathepsin b	0.0191	0.3048	1
Trypanosoma brucei	ingi protein (ORF1)	0.0128	0.1341	0.1341
Entamoeba histolytica	cysteine proteinase, putative	0.0127	0.1292	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0082	0.007	0.0539
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1292	0.4239
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.1292	0.1292
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0191	0.3048	0.3048
Trypanosoma brucei	ribonuclease H1	0.0118	0.1065	0.1065
Entamoeba histolytica	cysteine protease, putative	0.0127	0.1292	1
Toxoplasma gondii	ribonuclease HI protein	0.0118	0.1065	0.8244
Echinococcus multilocularis	cathepsin L cysteine protease	0.0127	0.1292	0.1144
Onchocerca volvulus	Cathepsin F homolog	0.0127	0.1292	1
Echinococcus granulosus	ribonuclease H1	0.0118	0.1065	0.3343
Echinococcus granulosus	cathepsin l1	0.0127	0.1292	0.4104
Trypanosoma brucei	ingi protein (ORF1)	0.0128	0.1341	0.1341
Loa Loa (eye worm)	hypothetical protein	0.0082	0.007	0.0228
Trypanosoma cruzi	cysteine peptidase, putative	0.0127	0.1292	0.4239
Schistosoma mansoni	phosphoglucomutase	0.0118	0.1065	0.1065
Leishmania major	cathepsin L-like protease	0.0127	0.1292	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.007	0.0228
Leishmania major	cysteine peptidase A (CPA)	0.0127	0.1292	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0127	0.1292	0.4104
Echinococcus granulosus	cathepsin b	0.0191	0.3048	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0127	0.1292	0.1292
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1292	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0127	0.1292	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0127	0.1292	1
Treponema pallidum	ribonuclease H (rnhA)	0.0118	0.1065	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
(functional)	0		ChEMBL.	15837295
C1 (ADMET)	= 460 ml min-1 kg-1	Total clearance of the compound after intravenous administration of 2.5 mg/kg in rats was determined	ChEMBL.	15837295
CL (ADMET)	= 460 ml/min.kg	Clearance in Han Wistar rat	ChEMBL.	16376075
cLogP	= 5.5	cLog P value of the compound was determined	ChEMBL.	15837295
F (ADMET)	= 0 %	Oral bioavailability in rat (dose 5 mg/kg i.v.)	ChEMBL.	15837295
F (ADMET)	= 0 %	Oral bioavailability in Han Wistar rat	ChEMBL.	16376075
F (ADMET)	= 0.24 mg ml-1	Oral bioavailability in rat (dose 5 mg/kg i.v.)	ChEMBL.	15837295
IC50 (binding)	= 3 nM	Inhibitory concentration against human cathepsin K	ChEMBL.	15837295
IC50 (binding)	= 3 nM	Inhibition of recombinant human cathepsin K by fluorescence assay	ChEMBL.	16376075
IC50 (binding)	= 3 nM	Inhibitory concentration against human cathepsin K	ChEMBL.	15837295
IC50 (binding)	= 3 nM	Inhibition of recombinant human cathepsin K by fluorescence assay	ChEMBL.	16376075
IC50 (binding)	= 13 nM	Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	= 13 nM	Inhibitory concentration against human cathepsin S by fluorescence assay using 10 uM Cbz-Val-Val-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	= 79 nM	Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	= 79 nM	Inhibitory concentration against human cathepsin V by fluorescence assay using 2 uM Cbz-Phe-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	= 410 nM	Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	= 410 nM	Inhibitory concentration against human cathepsin L by fluorescence assay using 5 uM Cbz-Phe-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	> 500 nM	Inhibitory concentration against human cathepsin B by fluorescence assay using 10 uM Cbz-Phe-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	> 500 nM	Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide	ChEMBL.	15837295
IC50 (binding)	> 500 nM	Inhibitory concentration against human cathepsin B by fluorescence assay using 10 uM Cbz-Phe-Arg-AMC	ChEMBL.	15837295
IC50 (binding)	> 500 nM	Inhibitory concentration against human cathepsin H by fluorescence assay using 50 uM L-Arg-b-naphthalamide	ChEMBL.	15837295
Ratio IC50 (binding)	= 13	Selectivity for human cathepsin K over cathepsin S by fluorescence assay	ChEMBL.	16376075
Ratio IC50 (binding)	= 79	Selectivity for human cathepsin K over cathepsin V by fluorescence assay	ChEMBL.	16376075
Ratio IC50 (binding)	= 410	Selectivity for human cathepsin K over cathepsin L by fluorescence assay	ChEMBL.	16376075
Ratio IC50 (binding)	> 500	Selectivity for human cathepsin K over cathepsin B by fluorescence assay	ChEMBL.	16376075
Ratio IC50 (binding)	> 500	Selectivity for human cathepsin K over cathepsin H by fluorescence assay	ChEMBL.	16376075
Solubility	= 0.24 mg/ml	Solubility in fasted state-simulated intestinal fluid at pH 6.8	ChEMBL.	16376075
T1/2 (ADMET)	= 11 min	Half-life of the compound after intravenous administration of 2.5 mg/kg in rats was determined	ChEMBL.	15837295
T1/2 (ADMET)	= 11 min	Half life in Han Wistar rat iv	ChEMBL.	16376075
Vss (ADMET)	= 3400 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
Vss (ADMET)	= 3400 ml/kg	Volume of distribution in Han Wistar rat	ChEMBL.	16376075

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: CHEMBL196896
PubChem: 10025017

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 341933