TDR Targets

Basic information

Technical information

TDR Targets ID: 1133155
Name: N-[(2S)-1-[(3aR,6aS)-4-(benzoyl)-6-oxo-3,3a,5 ,6a-tetrahydro-2H-pyrrolo[2,3-d]pyrazol-1-yl] -4-methyl-1-oxopentan-2-yl]-4-tert-butylbenza mide
MW: 504.621 | Formula: C29H36N4O4
H donors: 2 H acceptors: 4 LogP: 4.56 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: CC(C[C@@H](C(=O)N1NC[C@@H]2[C@H]1C(=O)CN2C(=O)c1ccccc1)NC(=O)c1ccc(cc1)C(C)(C)C)C
InChi: 1S/C29H36N4O4/c1-18(2)15-22(31-26(35)19-11-13-21(14-12-19)29(3,4)5)28(37)33-25-23(16-30-33)32(17-24(25)34)27(36)20-9-7-6-8-10-20/h6-14,18,22-23,25,30H,15-17H2,1-5H3,(H,31,35)/t22-,23+,25-/m0/s1
InChiKey: KHXWGZGVODXABJ-ARNLJNQMSA-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

N-[(1S)-1-[(3aR,6aS)-4-(benzoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[2,3-d]pyrazole-1-carbonyl]-3-methyl-butyl]-4-tert-butyl-benzamide
N-[(1S)-1-[[(3aR,6aS)-6-oxo-4-(oxo-phenylmethyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[2,3-d]pyrazol-1-yl]-oxomethyl]-3-methylbutyl]-4-tert-butylbenzamide
N-[(1S)-1-[(3aR,6aS)-4-(benzoyl)-6-keto-3,3a,5,6a-tetrahydro-2H-pyrrolo[2,3-d]pyrazole-1-carbonyl]-3-methyl-butyl]-4-tert-butyl-benzamide
N-[(2S)-1-[(3aR,6aS)-6-oxo-4-phenylcarbonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[2,3-d]pyrazol-1-yl]-4-methyl-1-oxo-pentan-2-yl]-4-tert-butyl-benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Leishmania mexicana		Starlite/ChEMBL	References
Trypanosoma cruzi	cysteine peptidase, putative	Starlite/ChEMBL	References
Homo sapiens	cathepsin S	Starlite/ChEMBL	References
Homo sapiens	cathepsin K	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Plasmodium falciparum	cysteine proteinase falcipain 2a	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma brucei gambiense	cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
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
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 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
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	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
Theileria parva	cysteine proteinase, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
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
Loa Loa (eye worm)	fibroinase	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	Cathepsin F homolog	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania major	cathepsin L-like protease	Get druggable targets OG5_126607	All targets in OG5_126607
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
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
Theileria parva	cysteine protease, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Schistosoma mansoni	cathepsin F (C01 family)	Get druggable targets OG5_126607	All targets in OG5_126607
Brugia malayi	Cathepsin L-like precursor	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania mexicana		Get druggable targets OG5_126607	All targets in OG5_126607
Brugia malayi	Cathepsin L-like precursor	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania braziliensis	cysteine peptidase A (CPA)	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
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
Theileria parva	cysteine proteinase	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 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
Entamoeba histolytica	cysteine protease, putative	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 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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-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
Echinococcus multilocularis	cathepsin L cysteine protease	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	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
Onchocerca volvulus		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 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
Plasmodium berghei	berghepain-2	Get druggable targets OG5_126607	All targets in OG5_126607
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126607	All targets in OG5_126607
Brugia malayi	Cathepsin L-like precursor	Get druggable targets OG5_126607	All targets in OG5_126607
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
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
Leishmania mexicana		Get druggable targets OG5_126607	All targets in OG5_126607
Theileria parva	cysteine protease, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
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
Leishmania mexicana	cathepsin L-like protease, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma brucei gambiense	cysteine peptidase precursor,cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
Echinococcus granulosus	cathepsin l1	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 granulosus	cathepsin L cysteine proteinase	Get druggable targets OG5_126607	All targets in OG5_126607
Plasmodium knowlesi	knowpain-4	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 major	cathepsin L-like protease	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma cruzi	cysteine peptidase, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania braziliensis	cathepsin L-like protease	Get druggable targets OG5_126607	All targets in OG5_126607
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
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
Trypanosoma brucei	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
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
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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
Brugia malayi	Cathepsin L-like precursor	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania major	cysteine peptidase A (CPA)	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 mansoni	cathepsin F (C01 family)	Get druggable targets OG5_126607	All targets in OG5_126607
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
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
Leishmania infantum	cathepsin L-like protease	Get druggable targets OG5_126607	All targets in OG5_126607
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	Get druggable targets OG5_126607	All targets in OG5_126607
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	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 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
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
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
Leishmania major	cathepsin L-like protease	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma cruzi	cysteine peptidase, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Leishmania infantum	cysteine peptidase A (CPA)	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	cysteine 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
Leishmania major	cathepsin L-like protease	Get druggable targets OG5_126607	All targets in OG5_126607
Plasmodium knowlesi	knowpain-2	Get druggable targets OG5_126607	All targets in OG5_126607
Plasmodium vivax	vivapain-2	Get druggable targets OG5_126607	All targets in OG5_126607
Plasmodium vivax	vivapain-2	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
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
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 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
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
Echinococcus granulosus	cathepsin l cysteine peptidase	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
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
Brugia malayi	Cathepsin L-like precursor	Get druggable targets OG5_126607	All targets in OG5_126607
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Get druggable targets OG5_126607	All targets in OG5_126607
Onchocerca volvulus	Cathepsin L homolog	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
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
Echinococcus multilocularis	cysteine 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
Leishmania braziliensis	cathepsin L-like protease	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 cruzi	cruzipain precursor, 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 granulosus	cathepsin l1	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 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
Brugia malayi	Cathepsin L-like cysteine proteinase	Get druggable targets OG5_126607	All targets in OG5_126607
Onchocerca volvulus		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
Theileria parva	cysteine protease, putative	Get druggable targets OG5_126607	All targets in OG5_126607
Toxoplasma gondii	cathepsin CPL	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
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	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

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 S	281 aa	226 aa	34.1 %
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
Entamoeba histolytica	cysteine proteinase, putative	0.0063	0.1997	0.2806
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3721	1
Schistosoma mansoni	hypothetical protein	0.0042	0.0804	0.1004
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3721	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0144	0.6442	0.8297
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0102	0.4155	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0294	0.0707
Onchocerca volvulus		0.0094	0.3721	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	1	1
Loa Loa (eye worm)	cysteine protease	0.0094	0.3721	0.8956
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0094	0.3721	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0094	0.3721	0.4777
Schistosoma mansoni	hypothetical protein	0.0042	0.0804	0.1004
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0049	0.1193	0.0985
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0094	0.3721	0.4777
Schistosoma mansoni	hypothetical protein	0.0167	0.7758	1
Echinococcus granulosus	cathepsin l1	0.0063	0.1997	0.2548
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0094	0.3721	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0294	0.0344
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0094	0.3721	0.4777
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3721	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.089	0.2141
Leishmania major	cathepsin L-like protease	0.0208	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0094	0.3721	1
Schistosoma mansoni	hypothetical protein	0.0167	0.7758	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0094	0.3721	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0094	0.3721	0.4777
Brugia malayi	Papain family cysteine protease containing protein	0.0094	0.3721	0.8949
Trypanosoma cruzi	cysteine peptidase, putative	0.0208	1	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0294	0.0344
Echinococcus granulosus	cathepsin L cysteine protease	0.0049	0.1193	0.1507
Echinococcus multilocularis	cathepsin L cysteine protease	0.0094	0.3721	0.4777
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	1	1
Echinococcus granulosus	cathepsin L	0.0049	0.1193	0.1507
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0094	0.3721	0.4777
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.089	0.1115
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3721	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0094	0.3721	0.3573
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0031	0.0231	0.0492
Entamoeba histolytica	cysteine protease, putative	0.0094	0.3721	0.882
Onchocerca volvulus		0.0063	0.1997	0.5333
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0294	0.0707
Brugia malayi	Cathepsin L-like precursor	0.0094	0.3721	0.8949
Echinococcus multilocularis	expressed conserved protein	0.0094	0.3723	0.478
Plasmodium vivax	unspecified product	0.0049	0.1193	0.2757
Schistosoma mansoni	patched 1	0.0043	0.089	0.1115
Toxoplasma gondii	cathepsin CPL	0.0094	0.3721	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0555
Brugia malayi	Cathepsin L-like precursor	0.0063	0.1997	0.4772
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3721	1
Schistosoma mansoni	cathepsin s	0.0031	0.0231	0.0262
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3721	1
Onchocerca volvulus	Cathepsin F homolog	0.0094	0.3721	1
Brugia malayi	Cathepsin L-like precursor	0.0094	0.3721	0.8949
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.089	0.1115
Echinococcus multilocularis	Niemann Pick C1 protein	0.01	0.4059	0.5215
Onchocerca volvulus		0.0094	0.3721	1
Onchocerca volvulus		0.0094	0.3721	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0094	0.3721	0.4777
Echinococcus multilocularis	cathepsin L	0.0049	0.1193	0.1507
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0049	0.1193	0.1507
Brugia malayi	Cathepsin L-like precursor	0.0094	0.3721	0.8949
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	1	1
Echinococcus granulosus	expressed conserved protein	0.0094	0.3723	0.478
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3721	1
Entamoeba histolytica	cysteine proteinase, putative	0.0094	0.3721	0.882
Loa Loa (eye worm)	fibroinase	0.0094	0.3721	0.8956
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3721	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3721	1
Brugia malayi	Cathepsin L-like precursor	0.0094	0.3721	0.8949
Onchocerca volvulus		0.0094	0.3721	1
Onchocerca volvulus		0.0094	0.3721	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1193	0.1071
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0094	0.3721	1
Schistosoma mansoni	hypothetical protein	0.0042	0.0804	0.1004
Plasmodium vivax	vivapain-3	0.0049	0.1193	0.2757
Schistosoma mansoni	hypothetical protein	0.0042	0.0804	0.1004
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0102	0.4155	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0094	0.3721	0.8956
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	1	1
Plasmodium vivax	vivapain-1	0.0049	0.1193	0.2757
Echinococcus multilocularis	protein patched	0.0043	0.089	0.1115
Schistosoma mansoni	cathepsin F (C01 family)	0.0063	0.1997	0.2548
Trypanosoma cruzi	cysteine proteinase, putative	0.0049	0.1193	0.0985
Loa Loa (eye worm)	hypothetical protein	0.0102	0.4155	1
Brugia malayi	Cathepsin L-like precursor	0.0094	0.3721	0.8949
Entamoeba histolytica	cysteine proteinase, putative	0.0094	0.3721	0.882
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0094	0.3721	1
Echinococcus multilocularis	protein dispatched 1	0.0049	0.1226	0.155
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0094	0.3721	1
Brugia malayi	Cathepsin L-like precursor	0.0094	0.3721	0.8949
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.2368	0.567
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0177	0.8276	0.8236
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0094	0.3721	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0294	0.0344
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3721	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0049	0.1193	0.1507
Echinococcus granulosus	Niemann Pick C1 protein	0.01	0.4059	0.5215
Trypanosoma cruzi	cruzipain precursor, putative	0.0208	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0094	0.3721	1
Brugia malayi	Papain family cysteine protease containing protein	0.0049	0.1193	0.2823
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0031	0.0231	0.0555
Trypanosoma cruzi	cysteine peptidase, putative	0.0208	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3721	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0555
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0294	0.0645
Schistosoma mansoni	hypothetical protein	0.0032	0.0294	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0094	0.3721	0.8956
Plasmodium vivax	vivapain-2	0.0094	0.3721	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3721	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	1	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0294	0.0344
Brugia malayi	Cathepsin L-like precursor	0.0031	0.0231	0.0492
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0028	0.0067
Schistosoma mansoni	hypothetical protein	0.0032	0.0294	0.0344
Echinococcus granulosus	cathepsin l1	0.0094	0.3721	0.4777
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3721	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0094	0.3721	1
Echinococcus multilocularis	cysteine protease	0.0094	0.3721	0.4777
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0094	0.3721	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1193	0.1071
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0208	1	1
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.089	0.1115
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0102	0.4145	0.5326
Trypanosoma cruzi	cysteine peptidase, putative	0.0208	1	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0294	0.0344
Echinococcus multilocularis	cysteine protease	0.0094	0.3721	0.4777
Onchocerca volvulus		0.0094	0.3721	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0131	0.5748	0.5648
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0294	0.0344
Echinococcus granulosus	Niemann Pick C1 protein	0.0144	0.6442	0.8297
Brugia malayi	Niemann-Pick C1 protein precursor	0.01	0.4059	0.9769
Echinococcus granulosus	GPCR family 2	0.0032	0.0294	0.0344
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.089	0.2141
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0294	0.0344
Loa Loa (eye worm)	ctsf protein	0.0094	0.3721	0.8956
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3721	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1997	0.4807
Echinococcus multilocularis	geminin	0.0167	0.7758	1
Trypanosoma cruzi	cysteine protease, putative	0.0049	0.1193	0.0985
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.01	0.4059	1
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0294	0.0645
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0028	0.0067
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0094	0.3721	0.8956
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0063	0.1997	0.4772
Loa Loa (eye worm)	hypothetical protein	0.007	0.2368	0.5699
Schistosoma mansoni	cathepsin F (C01 family)	0.0094	0.3721	0.4777
Echinococcus granulosus	geminin	0.0167	0.7758	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0063	0.1997	0.3912
Leishmania major	cathepsin L-like protease	0.0208	1	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1426	0.3432
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1997	0.4807
Echinococcus granulosus	cysteine protease	0.0049	0.1193	0.1507
Brugia malayi	Papain family cysteine protease containing protein	0.0049	0.1193	0.2823
Brugia malayi	cathepsin L-like precursor	0.0063	0.1997	0.4772
Schistosoma mansoni	hypothetical protein	0.007	0.2368	0.3027
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0094	0.3721	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.4059	0.9771
Brugia malayi	cathepsin F-like cysteine proteinase	0.0031	0.0231	0.0492
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1997	0.4807
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0102	0.4155	1
Plasmodium vivax	vivapain-2	0.0094	0.3721	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0028	0.0067
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0094	0.3721	1
Onchocerca volvulus	Cathepsin L homolog	0.0094	0.3721	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0094	0.3721	1
Onchocerca volvulus		0.0094	0.3721	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0094	0.3721	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0049	0.1193	0.0985
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0049	0.1193	0.1507
Trypanosoma cruzi	cysteine peptidase, putative	0.0049	0.1193	0.0985
Brugia malayi	Cathepsin L-like precursor	0.0063	0.1997	0.4772
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0555
Brugia malayi	CHE-14 protein	0.0043	0.089	0.2088
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0063	0.1997	0.3912

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 3.5 nM	Binding affinity against human cathepsin K	ChEMBL.	15713380
Ki (binding)	= 49.5 nM	Binding affinity against Leishmania mexicana cysteine peptidase B (CPB)	ChEMBL.	15713380
Ki (binding)	= 93.2 nM	Binding affinity against cruzaine	ChEMBL.	15713380
Ki (binding)	= 434 nM	Binding affinity against cathepsin S	ChEMBL.	15713380

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: CHEMBL607122

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 1133155