TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 465.54 | Formula: C23H35N3O7
H donors: 4 H acceptors: 5 LogP: 1.83 Rotable bonds: 19
Rule of 5 violations (Lipinski): 1
SMILES: OCCOCCNC(=O)C(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC
InChi: 1S/C23H35N3O7/c1-4-18(20(28)22(30)24-10-12-32-13-11-27)25-21(29)19(14-16(2)3)26-23(31)33-15-17-8-6-5-7-9-17/h5-9,16,18-19,27H,4,10-15H2,1-3H3,(H,24,30)(H,25,29)(H,26,31)
InChiKey: ITIYFQNKFLZJTC-UHFFFAOYSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	calpain 1, (mu/I) large subunit	Starlite/ChEMBL	References
Homo sapiens	calpain 2, (m/II) large subunit	Starlite/ChEMBL	References
Homo sapiens	cathepsin B	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	Cathepsin B-like protease (Precursor), related	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 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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127139	All targets in OG5_127139
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus granulosus	family C2 unassigned peptidase C02 family	Get druggable targets OG5_127139	All targets in OG5_127139
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
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 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
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 mansoni	family C2 unassigned peptidase (C02 family)	Get druggable targets OG5_127139	All targets in OG5_127139
Echinococcus granulosus	calpain A	Get druggable targets OG5_127139	All targets in OG5_127139
Brugia malayi	calpain family protein 1	Get druggable targets OG5_127139	All targets in OG5_127139
Echinococcus multilocularis	calpain family protein 1, d	Get druggable targets OG5_127139	All targets in OG5_127139
Echinococcus granulosus	cathepsin b	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
Loa Loa (eye worm)	hypothetical protein	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 C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
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
Echinococcus multilocularis	calpain A	Get druggable targets OG5_127139	All targets in OG5_127139
Giardia lamblia	Cathepsin B precursor	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
Loa Loa (eye worm)	calpain family protein 1	Get druggable targets OG5_127139	All targets in OG5_127139
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	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
Brugia malayi	calpain family protein 1	Get druggable targets OG5_127139	All targets in OG5_127139
Loa Loa (eye worm)	cathepsin B	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus granulosus	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Brugia malayi	cathepsin B-like cysteine proteinase	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma brucei	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
Schistosoma japonicum	ko:K01363 cathepsin B [EC3.4.22.1], putative	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Calpain-A, putative	Get druggable targets OG5_127139	All targets in OG5_127139
Giardia lamblia	Cathepsin B precursor	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	Calpain-1 catalytic subunit, putative	Get druggable targets OG5_127139	All targets in OG5_127139
Echinococcus multilocularis	cathepsin b	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 mansoni	family C2 unassigned peptidase (C02 family)	Get druggable targets OG5_127139	All targets in OG5_127139
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	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
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	Get druggable targets OG5_127139	All targets in OG5_127139
Loa Loa (eye worm)	calpain family protein 1	Get druggable targets OG5_127139	All targets in OG5_127139
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Toxoplasma gondii	cathepsin B	Get druggable targets OG5_127800	All targets in OG5_127800
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
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127139	All targets in OG5_127139
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 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 C (CPC), putative	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	Get druggable targets OG5_127139	All targets in OG5_127139
Schistosoma japonicum	ko:K08585 calpain, invertebrate, putative	Get druggable targets OG5_127139	All targets in OG5_127139
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	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
Giardia lamblia	Cathepsin B precursor	Get druggable targets OG5_127800	All targets in OG5_127800
Onchocerca volvulus		Get druggable targets OG5_127139	All targets in OG5_127139
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
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_127139	All targets in OG5_127139
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus multilocularis	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127139	All targets in OG5_127139

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	calpain A	calpain 1, (mu/I) large subunit	714 aa	753 aa	31.7 %
Plasmodium falciparum	dipeptidyl aminopeptidase 1	cathepsin B	339 aa	368 aa	26.9 %
Echinococcus granulosus	calpain A	calpain 2, (m/II) large subunit	622 aa	663 aa	31.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	oxidoreductase	0.0095	0.4622	0.4622
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.4622	0.3931
Schistosoma mansoni	aldo-keto reductase	0.0095	0.4622	0.3931
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.005	0.1138	0.1138
Entamoeba histolytica	aldose reductase, putative	0.0095	0.4622	1
Entamoeba histolytica	aldose reductase, putative	0.0095	0.4622	1
Onchocerca volvulus		0.0095	0.4622	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.4622	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0095	0.4622	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.4622	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0095	0.4622	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.4622	0.3931
Giardia lamblia	Aldose reductase	0.0095	0.4622	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.4622	1
Trypanosoma brucei	calpain-like protein, putative	0.005	0.1138	0.2463
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.4622	0.3931
Echinococcus granulosus	aldo keto reductase	0.0095	0.4622	0.3931
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.4622	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0095	0.4622	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.005	0.1138	0.1138
Trypanosoma brucei	calpain-like protein, putative	0.005	0.1138	0.2463
Onchocerca volvulus		0.0095	0.4622	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0095	0.4622	1
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0138	0.7844	0.7568
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0095	0.4622	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.4622	0.3931
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.4622	0.3931
Mycobacterium ulcerans	oxidoreductase	0.0095	0.4622	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.4622	0.3931
Trichomonas vaginalis	aldo/keto reductase, putative	0.0095	0.4622	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0055	0.1526	0.3301
Onchocerca volvulus		0.0095	0.4622	1
Trypanosoma brucei	antigen, putative	0.005	0.1138	0.2463
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.005	0.1138	0.1138
Trypanosoma brucei	calpain-like protein, putative	0.005	0.1138	0.2463
Brugia malayi	calpain family protein 1	0.0132	0.739	0.739
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.4622	0.3931
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.4622	0.3931
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0166	1	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.005	0.1138	0.1138
Echinococcus granulosus	cathepsin b	0.0166	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0095	0.4622	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.005	0.1138	0.1138
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.4622	0.3931
Trichomonas vaginalis	aldo/keto reductase, putative	0.0095	0.4622	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.4622	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.005	0.1138	0.2463
Echinococcus granulosus	aldo keto reductase	0.0095	0.4622	0.3931
Loa Loa (eye worm)	hypothetical protein	0.0132	0.739	0.739
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0138	0.7844	0.7568
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.005	0.1138	0.2463
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	1	1
Echinococcus multilocularis	aldo keto reductase	0.0095	0.4622	0.3931
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0095	0.4622	0.4622
Loa Loa (eye worm)	calpain family protein 1	0.0097	0.4742	0.4742
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0166	1	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0095	0.4622	0.4622
Echinococcus multilocularis	aldehyde reductase	0.0068	0.2516	0.1555
Onchocerca volvulus		0.0095	0.4622	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0095	0.4622	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.4622	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.4622	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.4622	0.3931
Loa Loa (eye worm)	oxidoreductase	0.0095	0.4622	0.4622
Loa Loa (eye worm)	oxidoreductase	0.0095	0.4622	0.4622
Plasmodium vivax	calpain, putative	0.005	0.1138	0.5
Leishmania major	prostaglandin f synthase, putative	0.0095	0.4622	1
Loa Loa (eye worm)	calpain family protein 1	0.0132	0.739	0.739
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.005	0.1138	0.2463
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.4622	0.3931
Echinococcus granulosus	aldehyde reductase	0.0068	0.2516	0.1555
Loa Loa (eye worm)	hypothetical protein	0.0082	0.3603	0.3603
Trypanosoma brucei	calpain-like protein, putative	0.005	0.1138	0.2463
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0138	0.7844	0.7568
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.005	0.1138	0.1138
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0095	0.4622	0.4622
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0055	0.1526	0.1526
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.005	0.1138	0.1138
Schistosoma mansoni	pol-related	0.0095	0.4622	0.3931
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.4622	0.3931
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.005	0.1138	0.2463
Echinococcus granulosus	calpain A	0.0138	0.7844	0.7568
Schistosoma mansoni	aldo-keto reductase	0.0095	0.4622	0.3931
Brugia malayi	calpain family protein 1	0.0132	0.739	0.739
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0095	0.4622	0.4622
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.4622	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0095	0.4622	1
Loa Loa (eye worm)	hypothetical protein	0.0166	1	1
Trypanosoma brucei	aldo-keto reductase, putative	0.0095	0.4622	1
Trypanosoma cruzi	aldo-keto reductase	0.0095	0.4622	0.4622
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.4622	0.3931
Echinococcus multilocularis	aldo keto reductase	0.0095	0.4622	0.3931
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.4622	0.3931
Giardia lamblia	Aldose reductase	0.0095	0.4622	1
Echinococcus multilocularis	aldo keto reductase	0.0095	0.4622	0.3931
Leishmania major	aldo-keto reductase-like protein	0.0095	0.4622	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0138	0.7844	0.7568
Loa Loa (eye worm)	hypothetical protein	0.0097	0.4742	0.4742
Loa Loa (eye worm)	cathepsin B	0.0055	0.1526	0.1526
Loa Loa (eye worm)	calpain	0.005	0.1138	0.1138
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.4622	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.4622	0.3931
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.1526	0.0437
Echinococcus multilocularis	calpain A	0.0138	0.7844	0.7568
Echinococcus multilocularis	calpain family protein 1, d	0.0097	0.4742	0.4066
Loa Loa (eye worm)	oxidoreductase	0.0095	0.4622	0.4622
Brugia malayi	calpain 7	0.005	0.1138	0.1138
Echinococcus granulosus	cathepsin b	0.0166	1	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.005	0.1138	0.1138
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	1	1
Echinococcus granulosus	aldo keto reductase	0.0095	0.4622	0.3931
Echinococcus multilocularis	aldo keto reductase	0.0095	0.4622	0.3931
Echinococcus multilocularis	cathepsin b	0.0166	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.4622	0.3931
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.005	0.1138	0.2463
Loa Loa (eye worm)	hypothetical protein	0.0095	0.4622	0.4622
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.4622	1
Loa Loa (eye worm)	hypothetical protein	0.0117	0.6252	0.6252
Onchocerca volvulus		0.0095	0.4622	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.005	0.1138	0.1138
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.4622	1
Entamoeba histolytica	aldose reductase, putative	0.0095	0.4622	1
Onchocerca volvulus		0.0095	0.4622	1
Echinococcus multilocularis	cathepsin b	0.0166	1	1
Echinococcus granulosus	hypothetical protein	0.0095	0.4622	0.3931
Toxoplasma gondii	aldose reductase, putative	0.0095	0.4622	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0055	0.1526	0.3301
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.4622	0.3931
Loa Loa (eye worm)	oxidoreductase	0.0095	0.4622	0.4622
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0095	0.4622	0.3931
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0132	0.739	0.7055
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.005	0.1138	0.1138
Trichomonas vaginalis	aldo-keto reductase, putative	0.0095	0.4622	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0095	0.4622	0.4622
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.4622	0.3931
Trypanosoma brucei	prostaglandin f synthase	0.0095	0.4622	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0095	0.4622	0.3931

Activities

Activity type	Activity value	Assay description	Source	Reference
IC (functional)	= 58 uM	Platelet membrane permeability.	ChEMBL.	8831774
Ki (binding)	= 0.16 nM	Compound was evaluated for the inhibition of Cysteine protease Calpain 2	ChEMBL.	8831774
Ki (binding)	= 0.65 nM	Inhibition of the cysteine protease human Calpain 1	ChEMBL.	8831774
Ki (binding)	= 2 nM	Inhibition of human cathepsin B	ChEMBL.	8831774
Ki (binding)	= 0.16 uM	Compound was evaluated for the inhibition of Cysteine protease Calpain 2	ChEMBL.	8831774
Ki (binding)	= 0.65 uM	Inhibition of the cysteine protease human Calpain 1	ChEMBL.	8831774
Ki (binding)	= 2 uM	Inhibition of human cathepsin B	ChEMBL.	8831774

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: CHEMBL131264

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 226430