TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 651.748 | Formula: C38H41N3O7
H donors: 4 H acceptors: 5 LogP: 6.1 Rotable bonds: 20
Rule of 5 violations (Lipinski): 2
SMILES: CC(CC(C(=O)NC(C(=O)C(=O)NCC(c1ccc(cc1)Oc1ccccc1)O)Cc1ccccc1)NC(=O)OCc1ccccc1)C
InChi: 1S/C38H41N3O7/c1-26(2)22-33(41-38(46)47-25-28-14-8-4-9-15-28)36(44)40-32(23-27-12-6-3-7-13-27)35(43)37(45)39-24-34(42)29-18-20-31(21-19-29)48-30-16-10-5-11-17-30/h3-21,26,32-34,42H,22-25H2,1-2H3,(H,39,45)(H,40,44)(H,41,46)
InChiKey: WIWTZPBWDNQRGX-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 2, (m/II) large subunit	Starlite/ChEMBL	References
Bos taurus	Cathepsin B	Starlite/ChEMBL	References
Homo sapiens	calpain 1, (mu/I) large subunit	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Neospora caninum	Cathepsin B-like protease (Precursor), related	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
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
Echinococcus granulosus	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
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	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
Leishmania donovani	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	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
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
Echinococcus multilocularis	calpain family protein 1, d	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 granulosus	calpain A	Get druggable targets OG5_127139	All targets in OG5_127139
Echinococcus granulosus	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 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_127139	All targets in OG5_127139
Schistosoma mansoni	SmCB2 peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus multilocularis	calpain A	Get druggable targets OG5_127139	All targets in OG5_127139
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
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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127139	All targets in OG5_127139
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
Trypanosoma congolense	cysteine peptidase C (CPC)	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
Echinococcus granulosus	cathepsin b	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
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
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, 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
Trypanosoma brucei	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus multilocularis	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
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
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
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	Get druggable targets OG5_127139	All targets in OG5_127139
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
Loa Loa (eye worm)	hypothetical protein	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
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
Toxoplasma gondii	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
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania braziliensis	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	Get druggable targets OG5_127800	All targets in OG5_127800
Loa Loa (eye worm)	cathepsin B	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
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
Giardia lamblia	Cathepsin B precursor	Get druggable targets OG5_127800	All targets in OG5_127800
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
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Onchocerca volvulus		Get druggable targets OG5_127139	All targets in OG5_127139
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127139	All targets in OG5_127139
Trypanosoma cruzi	cysteine peptidase C (CPC), 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
Schistosoma japonicum	ko:K01363 cathepsin B [EC3.4.22.1], putative	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Cryptosporidium hominis	preprocathepsin c precursor	Cathepsin B	335 aa	280 aa	25.7 %
Onchocerca volvulus	Cathepsin B-like cysteine proteinase 6 homolog	Cathepsin B	335 aa	315 aa	49.2 %
Onchocerca volvulus		Cathepsin B	335 aa	326 aa	34.7 %
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	Cathepsin B	335 aa	275 aa	32.7 %
Plasmodium berghei	dipeptidyl aminopeptidase 1, putative	Cathepsin B	335 aa	313 aa	25.6 %
Brugia malayi	Cathepsin L-like precursor	Cathepsin B	335 aa	312 aa	25.0 %
Plasmodium knowlesi	knowpain-3	Cathepsin B	335 aa	301 aa	22.6 %
Dictyostelium discoideum	cysteine proteinase 3	Cathepsin B	335 aa	275 aa	28.7 %
Giardia lamblia	Cathepsin L precursor	Cathepsin B	335 aa	280 aa	25.0 %
Toxoplasma gondii	cathepsin CPC1	Cathepsin B	335 aa	296 aa	28.7 %
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	Cathepsin B	335 aa	287 aa	25.1 %
Onchocerca volvulus		Cathepsin B	335 aa	275 aa	24.7 %
Plasmodium berghei	dipeptidyl aminopeptidase 2	Cathepsin B	335 aa	311 aa	22.5 %
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Cathepsin B	335 aa	271 aa	24.4 %
Plasmodium knowlesi	knowpain-2	Cathepsin B	335 aa	308 aa	23.1 %
Trypanosoma cruzi	cysteine proteinase, putative	Cathepsin B	335 aa	276 aa	26.1 %
Echinococcus granulosus	calpain A	calpain 1, (mu/I) large subunit	714 aa	753 aa	31.7 %
Plasmodium yoelii	cathepsin c precursor	Cathepsin B	335 aa	313 aa	25.2 %
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Cathepsin B	335 aa	297 aa	23.6 %
Echinococcus granulosus	calpain A	calpain 2, (m/II) large subunit	622 aa	663 aa	31.2 %
Plasmodium knowlesi	dipeptidyl aminopeptidase 2, putative	Cathepsin B	335 aa	297 aa	24.6 %
Schistosoma japonicum	Cathepsin C precursor, putative	Cathepsin B	335 aa	289 aa	28.4 %
Toxoplasma gondii	preprocathepsin c precursor, putative	Cathepsin B	335 aa	272 aa	24.3 %
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Cathepsin B	335 aa	272 aa	25.0 %
Babesia bovis	cathepsin C precursor, putative	Cathepsin B	335 aa	305 aa	25.9 %
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	Cathepsin B	335 aa	288 aa	26.4 %
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Cathepsin B	335 aa	289 aa	22.8 %
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Cathepsin B	335 aa	297 aa	23.6 %
Neospora caninum	hypothetical protein	Cathepsin B	335 aa	303 aa	28.4 %
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Cathepsin B	335 aa	270 aa	25.2 %
Dictyostelium discoideum	cysteine proteinase 5 precursor	Cathepsin B	335 aa	271 aa	24.4 %
Trypanosoma cruzi	cysteine proteinase, putative	Cathepsin B	335 aa	276 aa	25.7 %
Schistosoma japonicum	ko:K01275 cathepsin C [EC3.4.14.1], putative	Cathepsin B	335 aa	351 aa	28.5 %
Plasmodium falciparum	dipeptidyl aminopeptidase 2	Cathepsin B	335 aa	312 aa	23.7 %
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Cathepsin B	335 aa	271 aa	25.1 %
Dictyostelium discoideum	cathepsin L-like proteinase	Cathepsin B	335 aa	322 aa	26.4 %
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Cathepsin B	335 aa	271 aa	25.1 %
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	Cathepsin B	335 aa	286 aa	26.6 %
Trypanosoma congolense	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	Cathepsin B	335 aa	272 aa	24.6 %
Onchocerca volvulus	Cathepsin L homolog	Cathepsin B	335 aa	316 aa	25.6 %
Plasmodium knowlesi	knowpain-4	Cathepsin B	335 aa	304 aa	25.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.005	0.0682	0.8724
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0015	0.0034	0.0016
Loa Loa (eye worm)	calpain family protein 1	0.0097	0.1573	0.3486
Trichomonas vaginalis	ap endonuclease, putative	0.0015	0.0034	0.0016
Echinococcus multilocularis	calpain A	0.0138	0.2341	0.2341
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0138	0.2341	0.2341
Echinococcus multilocularis	calpain	0.005	0.0682	0.0682
Toxoplasma gondii	cathepsin B	0.0055	0.0778	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0132	0.2228	0.2228
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.005	0.0682	0.2301
Echinococcus multilocularis	importin subunit beta 1	0.0023	0.0187	0.0187
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0026	0.0241	0.0507
Trypanosoma brucei	calpain-like protein, putative	0.005	0.0682	0.8724
Echinococcus granulosus	calpain	0.005	0.0682	0.0682
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0055	0.0778	0.1849
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0015	0.0034	0.0089
Trypanosoma cruzi	kinesin, putative	0.0035	0.0401	0.1312
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0035	0.0401	0.0919
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.005	0.0682	0.8724
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.2874	0.2874
Trypanosoma brucei	calpain-like protein, putative	0.005	0.0682	0.8724
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.0778	0.0778
Brugia malayi	calpain 5	0.0035	0.0401	0.0883
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.2874	0.2874
Toxoplasma gondii	exonuclease III APE	0.0015	0.0034	0.0434
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0018	0.0093	0.1196
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0166	0.2874	1
Trypanosoma brucei	pyruvate kinase 1	0.0026	0.0241	0.2852
Loa Loa (eye worm)	calpain 5	0.0035	0.0401	0.0842
Entamoeba histolytica	pyruvate kinase, putative	0.0018	0.0091	0.0158
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0065	0.0981	0.0981
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0138	0.2341	0.2341
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0048	0.0648	0.3349
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0018	0.0093	0.0323
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0015	0.0034	0.0089
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0055	0.0778	1
Giardia lamblia	Cathepsin B precursor	0.0055	0.0778	0.1903
Echinococcus granulosus	cathepsin b	0.0166	0.2874	0.2874
Schistosoma mansoni	calpain-7 (C02 family)	0.005	0.0682	0.0682
Brugia malayi	cathepsin B-like cysteine proteinase	0.0166	0.2874	0.6734
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.023	0.4089	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.005	0.0682	0.2301
Onchocerca volvulus		0.0082	0.1292	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0015	0.0034	0.0023
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0019	0.0104	0.0189
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0015	0.0034	0.0023
Toxoplasma gondii	HEAT repeat-containing protein	0.0023	0.0187	0.241
Plasmodium vivax	calpain, putative	0.005	0.0682	1
Plasmodium falciparum	importin beta, putative	0.0023	0.0187	0.7769
Echinococcus multilocularis	calpain family protein 1, d	0.0097	0.1573	0.1573
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.023	0.4089	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0015	0.0034	0.14
Entamoeba histolytica	protein kinase, putative	0.0035	0.0401	0.0919
Trypanosoma brucei	importin beta-1 subunit, putative	0.0023	0.0187	0.2136
Echinococcus granulosus	pyruvate kinase	0.0026	0.0241	0.0241
Treponema pallidum	fructose-bisphosphate aldolase	0.023	0.4089	1
Schistosoma mansoni	calpain (C02 family)	0.005	0.0682	0.0682
Schistosoma mansoni	aldehyde dehydrogenase	0.0048	0.0648	0.0648
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0091	0.0145
Giardia lamblia	Pyruvate kinase	0.0026	0.0241	0.059
Echinococcus multilocularis	cathepsin b	0.0166	0.2874	0.2874
Brugia malayi	calpain family protein 1	0.0132	0.2228	0.5207
Echinococcus multilocularis	hypothetical protein	0.005	0.0682	0.0682
Echinococcus granulosus	calpain A	0.0138	0.2341	0.2341
Trichomonas vaginalis	pyruvate kinase, putative	0.0026	0.0241	0.0527
Schistosoma mansoni	hypothetical protein	0.025	0.4463	0.4463
Schistosoma mansoni	pyruvate kinase	0.0026	0.0241	0.0241
Loa Loa (eye worm)	pyruvate kinase	0.0026	0.0241	0.0483
Echinococcus granulosus	snurportin 1	0.025	0.4463	0.4463
Schistosoma mansoni	microtubule-associated protein tau	0.0544	1	1
Schistosoma mansoni	ap endonuclease	0.0015	0.0034	0.0034
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.023	0.4089	1
Trypanosoma brucei	antigen, putative	0.005	0.0682	0.8724
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0241	0.0483
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0015	0.0034	0.0083
Echinococcus granulosus	calpain 7 C02 family	0.005	0.0682	0.0682
Echinococcus multilocularis	microtubule associated protein 2	0.0544	1	1
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0018	0.0093	1
Trypanosoma cruzi	kinesin, putative	0.0035	0.0401	0.1312
Entamoeba histolytica	hypothetical protein	0.0018	0.0093	0.0162
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.023	0.4089	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0023	0.0187	0.2136
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0138	0.2341	0.2341
Schistosoma mansoni	calpain-2 (C02 family)	0.0015	0.0027	0.0027
Entamoeba histolytica	hypothetical protein	0.0019	0.0104	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0187	0.0361
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0166	0.2874	0.2874
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.005	0.0682	0.2301
Brugia malayi	RNA, U transporter 1	0.0067	0.1002	0.2306
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0048	0.0648	0.0648
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.005	0.0682	0.2301
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.023	0.4089	1
Trypanosoma brucei	kinesin, putative	0.0035	0.0401	0.4974
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0015	0.0034	0.0015
Chlamydia trachomatis	pyruvate kinase	0.0026	0.0241	1
Plasmodium vivax	pyruvate kinase, putative	0.0026	0.0241	0.3537
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.005	0.0682	0.2301
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0026	0.0241	0.0752
Leishmania major	pyruvate kinase	0.0026	0.0241	0.2852
Echinococcus granulosus	L aminoadipate semialdehyde	0.0065	0.0981	0.0981
Leishmania major	phosphopantetheinyl transferase-like protein	0.0018	0.0093	0.0878
Trypanosoma brucei	hypothetical protein, conserved	0.0018	0.0093	0.0878
Loa Loa (eye worm)	calpain family protein 1	0.0132	0.2228	0.4962
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.005	0.0682	0.8724
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.005	0.0682	0.8724
Echinococcus multilocularis	pyruvate kinase	0.0026	0.0241	0.0241
Schistosoma mansoni	calpain C (C02 family)	0.005	0.0682	0.0682
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0048	0.0648	0.3349
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0026	0.0241	0.0507
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.023	0.4089	1
Loa Loa (eye worm)	pyruvate kinase	0.0026	0.0241	0.0483
Trypanosoma brucei	calpain-like protein, putative	0.005	0.0682	0.8724
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0018	0.0093	0.1364
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0048	0.0648	0.3349
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0018	0.0093	0.3857
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0055	0.0778	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0015	0.0034	0.0034
Toxoplasma gondii	calpain family cysteine protease domain-containing protein	0.0015	0.0027	0.0349
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.005	0.0682	0.2301
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.023	0.4089	1
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0018	0.0093	0.0146
Echinococcus granulosus	calpain A	0.005	0.0682	0.0682
Echinococcus granulosus	muscleblind protein	0.0239	0.4255	0.4255
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0019	0.0104	0.0189
Schistosoma mansoni	aldehyde dehydrogenase	0.0048	0.0648	0.0648
Echinococcus granulosus	importin subunit beta 1	0.0023	0.0187	0.0187
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0112	0.1867	1
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0018	0.0093	0.0323
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0026	0.0241	0.1132
Leishmania major	importin beta-1 subunit, putative	0.0019	0.0104	0.1022
Schistosoma mansoni	ap endonuclease	0.0015	0.0034	0.0034
Giardia lamblia	Cathepsin B precursor	0.0055	0.0778	0.1903
Schistosoma mansoni	Mername-AA248 (C02 family)	0.005	0.0682	0.0682
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0015	0.0034	0.0034
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0112	0.1867	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0981	0.2151
Echinococcus multilocularis	calpain 5	0.005	0.0682	0.0682
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0019	0.0104	0.027
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.005	0.0682	0.2301
Echinococcus granulosus	calpain 5	0.005	0.0682	0.0682
Plasmodium falciparum	pyruvate kinase	0.0026	0.0241	1
Leishmania major	pyruvate kinase	0.0026	0.0241	0.2852
Loa Loa (eye worm)	hypothetical protein	0.0239	0.4255	0.953
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0138	0.2341	0.2341
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2874	0.6418
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0026	0.0241	0.0752
Trypanosoma brucei	pyruvate kinase 1, putative	0.0026	0.0241	0.2852
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0065	0.0981	0.2257
Trichomonas vaginalis	pyruvate kinase, putative	0.0026	0.0241	0.0527
Giardia lamblia	Fructose-bisphosphate aldolase	0.023	0.4089	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.023	0.4089	1
Schistosoma mansoni	importin beta-1	0.0023	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1573	0.3486
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0048	0.0648	0.0648
Brugia malayi	calpain family protein 1	0.0132	0.2228	0.5207
Leishmania major	kinesin, putative	0.0035	0.0401	0.4974
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0048	0.0648	0.3349
Echinococcus multilocularis	cathepsin b	0.0166	0.2874	0.2874
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.005	0.0682	0.2301
Echinococcus multilocularis	muscleblind protein 1	0.0239	0.4255	0.4255
Plasmodium falciparum	calpain	0.0015	0.0027	0.1124
Trichomonas vaginalis	importin beta-1, putative	0.0019	0.0104	0.0189
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.005	0.0682	0.8724
Loa Loa (eye worm)	hypothetical protein	0.0239	0.4255	0.953
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0018	0.0093	0.0323
Onchocerca volvulus		0.0065	0.0981	0.7042
Plasmodium vivax	importin-beta 2, putative	0.0023	0.0187	0.2748
Brugia malayi	Importin beta-1 subunit	0.0023	0.0187	0.0379
Echinococcus multilocularis	calpain 7 (C02 family)	0.005	0.0682	0.0682
Echinococcus multilocularis	muscleblind protein	0.0239	0.4255	0.4255
Loa Loa (eye worm)	pyruvate kinase	0.0026	0.0241	0.0483
Echinococcus multilocularis	snurportin 1	0.025	0.4463	0.4463
Brugia malayi	Muscleblind-like protein	0.0239	0.4255	1
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0018	0.0093	0.1196
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0026	0.0241	0.0835
Echinococcus multilocularis	pyruvate kinase	0.0026	0.0241	0.0241
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0065	0.0981	0.0981
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.023	0.4089	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.2874	0.2874
Loa Loa (eye worm)	cathepsin B	0.0055	0.0778	0.1693
Schistosoma mansoni	pyruvate kinase	0.0026	0.0241	0.0241
Toxoplasma gondii	aldehyde dehydrogenase	0.0048	0.0648	0.8328
Schistosoma mansoni	calpain-7 (C02 family)	0.005	0.0682	0.0682
Loa Loa (eye worm)	calpain	0.005	0.0682	0.1477
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.025	0.4463	1
Toxoplasma gondii	hypothetical protein	0.0015	0.0027	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0082	0.1292	0.2851
Trypanosoma brucei	calpain-like protein, putative	0.005	0.0682	0.8724
Trichomonas vaginalis	ap endonuclease, putative	0.0015	0.0034	0.0016
Echinococcus granulosus	cathepsin b	0.0166	0.2874	0.2874
Echinococcus granulosus	pyruvate kinase	0.0026	0.0241	0.0241
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0112	0.1867	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0027	0.0027
Echinococcus multilocularis	pyruvate kinase	0.0021	0.0137	0.0137
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.005	0.0682	0.2301
Loa Loa (eye worm)	hypothetical protein	0.0117	0.1947	0.4328
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.005	0.0682	0.2301
Loa Loa (eye worm)	pyruvate kinase-PB	0.0018	0.0091	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0132	0.2228	0.4962
Toxoplasma gondii	pyruvate kinase PyK1	0.0026	0.0241	0.3102
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0015	0.0034	0.0495
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.023	0.4089	1
Brugia malayi	calpain 7	0.005	0.0682	0.1549
Giardia lamblia	Cathepsin B precursor	0.0055	0.0778	0.1903
Brugia malayi	exodeoxyribonuclease III family protein	0.0015	0.0034	0.0016
Mycobacterium ulcerans	pyruvate kinase	0.0026	0.0241	0.1132
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0048	0.0648	0.8268
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0055	0.0778	0.2637

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.17 nM	Compound was evaluated for the inhibition of Cysteine protease Calpain 2	ChEMBL.	8831774
Ki (binding)	= 0.2 nM	Inhibition of the cysteine protease human Calpain 1	ChEMBL.	8831774
Ki (binding)	= 2.1 nM	Inhibition of bovine cathepsin B	ChEMBL.	8831774
Ki (binding)	= 0.17 uM	Compound was evaluated for the inhibition of Cysteine protease Calpain 2	ChEMBL.	8831774
Ki (binding)	= 0.2 uM	Inhibition of the cysteine protease human Calpain 1	ChEMBL.	8831774
Ki (binding)	= 2.1 uM	Inhibition of bovine 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: CHEMBL133936

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 230957