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(c1cccc(c1)Oc1ccccc1)O)Cc1ccccc1)NC(=O)OCc1ccccc1)C
InChi: 1S/C38H41N3O7/c1-26(2)21-33(41-38(46)47-25-28-15-8-4-9-16-28)36(44)40-32(22-27-13-6-3-7-14-27)35(43)37(45)39-24-34(42)29-17-12-20-31(23-29)48-30-18-10-5-11-19-30/h3-20,23,26,32-34,42H,21-22,24-25H2,1-2H3,(H,39,45)(H,40,44)(H,41,46)
InChiKey: BYDZMKUUIQPQOJ-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
Bos taurus	Cathepsin B	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
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
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus granulosus	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	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 brucei	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	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 japonicum	Cathepsin B-like cysteine proteinase precursor, putative	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
Schistosoma mansoni	SmCB2 peptidase (C01 family)	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127139	All targets in OG5_127139
Neospora caninum	Cathepsin B-like protease (Precursor), related	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	family C2 unassigned peptidase (C02 family)	Get druggable targets OG5_127139	All targets in OG5_127139
Onchocerca volvulus		Get druggable targets OG5_127139	All targets in OG5_127139
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
Echinococcus multilocularis	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Toxoplasma gondii	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
Trypanosoma congolense	cysteine peptidase C (CPC)	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
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	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
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
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, 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
Schistosoma japonicum	Calpain-1 catalytic subunit, 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	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
Echinococcus multilocularis	calpain A	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
Giardia lamblia	Cathepsin B precursor	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus granulosus	cathepsin b	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
Echinococcus granulosus	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
Trypanosoma congolense	cysteine peptidase C (CPC)	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
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_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 japonicum	ko:K01363 cathepsin B [EC3.4.22.1], 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
Brugia malayi	cathepsin B-like cysteine proteinase	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
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	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
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
Echinococcus granulosus	calpain A	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
Giardia lamblia	Cathepsin B precursor	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	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800

By sequence similarity to non orthologous known druggable targets

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	cytochrome P450 2K1	0.0048	0.0491	0.0772
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0473	0.0448
Brugia malayi	calpain 7	0.005	0.0565	0.1063
Onchocerca volvulus		0.0082	0.1828	0.7522
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.019	0.6051	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.3767	0.7368
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0054	0.0728	0.0705
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.0473	0.0742
Onchocerca volvulus		0.0093	0.2274	1
Giardia lamblia	Cathepsin B precursor	0.0055	0.0764	1
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.005	0.0565	0.0685
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0599	0.2194
Leishmania major	carbonic anhydrase family protein, putative	0.0237	0.7903	1
Echinococcus granulosus	mitogen activated protein kinase	0.0051	0.0599	0.0951
Echinococcus multilocularis	mitogen activated protein kinase	0.0051	0.0599	0.0951
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.005	0.0565	0.1063
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0138	0.4	0.6597
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0051	0.0599	0.7765
Echinococcus multilocularis	calpain family protein 1, d	0.0097	0.2411	0.3959
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0138	0.4	0.6597
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0599	0.0575
Plasmodium vivax	calpain, putative	0.005	0.0565	0.5
Schistosoma mansoni	alpha-glucosidase	0.0139	0.4055	0.404
Leishmania major	cytochrome p450-like protein	0.0048	0.0491	0.059
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0473	0.088
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0048	0.0491	0.0916
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.0473	0.0742
Brugia malayi	MAP kinase sur-1	0.0051	0.0599	0.1128
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0473	0.0448
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.005	0.0565	0.0685
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.5104	0.5092
Trypanosoma brucei	calpain-like protein, putative	0.005	0.0565	0.7312
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0054	0.0728	0.1166
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.0764	0.074
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.005	0.0565	0.1063
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	0.4934	0.8147
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0025	0.0032
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.5104	0.5092
Echinococcus granulosus	calpain A	0.0138	0.4	0.6597
Loa Loa (eye worm)	hypothetical protein	0.0117	0.3184	0.622
Brugia malayi	calpain family protein 1	0.0132	0.3767	0.7368
Loa Loa (eye worm)	calpain family protein 1	0.0097	0.2411	0.4697
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.005	0.0565	0.1063
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0138	0.4	0.3985
Loa Loa (eye worm)	cathepsin B	0.0055	0.0764	0.1453
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0051	0.0599	0.7765
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0166	0.5104	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0161	0.4934	0.9665
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0025	0.0032
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0599	0.2194
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.0237	0.7903	1
Loa Loa (eye worm)	cytochrome P450	0.0048	0.0491	0.0916
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0138	0.4	0.3985
Brugia malayi	Cytochrome P450 family protein	0.0048	0.0491	0.0916
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.005	0.0565	0.1063
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.005	0.0565	0.1063
Brugia malayi	cytochrome P450	0.0048	0.0491	0.0916
Brugia malayi	mbt repeat family protein	0.0047	0.0473	0.088
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0051	0.0599	0.0728
Echinococcus granulosus	mitogen activated protein kinase 3	0.0051	0.0599	0.0951
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0048	0.0491	0.0916
Mycobacterium ulcerans	carbonic anhydrase	0.0103	0.2638	0.2896
Brugia malayi	calpain family protein 1	0.0132	0.3767	0.7368
Schistosoma mansoni	carbonic anhydrase	0.0237	0.7903	0.7898
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0051	0.0599	0.0951
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0599	0.2194
Trypanosoma brucei	antigen, putative	0.005	0.0565	0.7312
Mycobacterium ulcerans	carbonic anhydrase	0.0237	0.7903	1
Brugia malayi	Cytochrome P450 family protein	0.0048	0.0491	0.0916
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0055	0.0764	0.2826
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.005	0.0565	0.1063
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.019	0.6051	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0054	0.0728	0.1166
Entamoeba histolytica	carbonic anhydrase, putative	0.0237	0.7903	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.005	0.0565	0.1063
Loa Loa (eye worm)	cytochrome P450 family protein	0.0048	0.0491	0.0916
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0599	0.1128
Trypanosoma brucei	calpain-like protein, putative	0.005	0.0565	0.7312
Echinococcus granulosus	calpain A	0.005	0.0565	0.0896
Echinococcus multilocularis		0.0048	0.0491	0.0772
Echinococcus granulosus	cathepsin b	0.0166	0.5104	0.8429
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.5104	0.5092
Loa Loa (eye worm)	calpain family protein 1	0.0132	0.3767	0.7368
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0728	0.1384
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0051	0.0599	0.1128
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0103	0.2638	0.3744
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0166	0.5104	0.5092
Giardia lamblia	Cathepsin B precursor	0.0055	0.0764	1
Trypanosoma cruzi	cytochrome P450, putative	0.0048	0.0491	0.0916
Loa Loa (eye worm)	hypothetical protein	0.0082	0.1828	0.3549
Leishmania major	cytochrome p450-like protein	0.0048	0.0491	0.059
Brugia malayi	Cytochrome P450 family protein	0.0048	0.0491	0.0916
Echinococcus granulosus	lysosomal alpha glucosidase	0.0161	0.4934	0.8147
Trypanosoma brucei	calpain-like protein, putative	0.005	0.0565	0.7312
Loa Loa (eye worm)	calpain	0.005	0.0565	0.1063
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0051	0.0599	0.0728
Brugia malayi	Cytochrome P450 family protein	0.0048	0.0491	0.0916
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.005	0.0565	0.0685
Echinococcus multilocularis	calpain A	0.0138	0.4	0.6597
Echinococcus multilocularis	calpain	0.005	0.0565	0.0896
Trypanosoma cruzi	cytochrome P450, putative	0.0048	0.0491	0.0916
Echinococcus multilocularis	cathepsin b	0.0166	0.5104	0.8429
Trypanosoma brucei	calpain-like protein, putative	0.005	0.0565	0.7312
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0599	0.2194
Echinococcus multilocularis	calpain 5	0.005	0.0565	0.0896
Schistosoma mansoni	calpain C (C02 family)	0.005	0.0565	0.0541
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.005	0.0565	0.1063
Loa Loa (eye worm)	cytochrome P450 family protein	0.0048	0.0491	0.0916
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.005	0.0565	0.1063
Schistosoma mansoni	hypothetical protein	0.0048	0.0491	0.0466
Loa Loa (eye worm)	cytochrome P450 family protein	0.0048	0.0491	0.0916
Schistosoma mansoni	calpain-7 (C02 family)	0.005	0.0565	0.0541
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.005	0.0565	0.7312
Loa Loa (eye worm)	hypothetical protein	0.0166	0.5104	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0055	0.0764	1
Echinococcus multilocularis	hypothetical protein	0.005	0.0565	0.0896
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0135	0.3891	0.593
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.0473	0.0448
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0599	0.1128
Echinococcus granulosus	calpain 5	0.005	0.0565	0.0896
Schistosoma mansoni	Mername-AA248 (C02 family)	0.005	0.0565	0.0541
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0048	0.0491	0.63
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.005	0.0565	0.1063
Giardia lamblia	Cathepsin B precursor	0.0055	0.0764	1
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.0473	0.0742
Schistosoma mansoni	calpain (C02 family)	0.005	0.0565	0.0541
Echinococcus granulosus	calpain 7 C02 family	0.005	0.0565	0.0896
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0054	0.0728	0.1384
Trichomonas vaginalis	conserved hypothetical protein	0.0103	0.2638	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0051	0.0599	0.1128
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0048	0.0491	0.63
Trichomonas vaginalis	conserved hypothetical protein	0.0103	0.2638	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0161	0.4934	0.8147
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.005	0.0565	0.7312
Echinococcus multilocularis	cathepsin b	0.0166	0.5104	0.8429
Trypanosoma brucei	protein kinase, putative	0.0051	0.0599	0.7765
Echinococcus multilocularis	calpain 7 (C02 family)	0.005	0.0565	0.0896
Schistosoma mansoni	cytochrome P450	0.0048	0.0491	0.0466
Brugia malayi	cathepsin B-like cysteine proteinase	0.0166	0.5104	1
Toxoplasma gondii	cathepsin B	0.0055	0.0764	1
Loa Loa (eye worm)	CYP4Cod1	0.0048	0.0491	0.0916
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0195	0.6225	1
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0048	0.0491	0.059
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0132	0.3767	0.3751
Trypanosoma brucei	cytochrome P450, putative	0.0048	0.0491	0.63
Schistosoma mansoni	calpain-7 (C02 family)	0.005	0.0565	0.0541
Echinococcus granulosus	cathepsin b	0.0166	0.5104	0.8429
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0054	0.0728	0.1166
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.0473	0.0742
Schistosoma mansoni	alpha-glucosidase	0.0139	0.4055	0.404
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0055	0.0764	0.1453
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.0473	0.088
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0054	0.0728	0.1166
Loa Loa (eye worm)	MBCTL1	0.0054	0.0728	0.1384
Echinococcus granulosus	calpain	0.005	0.0565	0.0896
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0055	0.0764	0.0937
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0161	0.4934	0.9665
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0051	0.0599	0.1128
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0048	0.0491	0.0916
Leishmania major	cytochrome p450-like protein	0.0048	0.0491	0.059
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2411	0.4697
Brugia malayi	mbt repeat family protein	0.0047	0.0473	0.088

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.34 nM	Compound was evaluated for the inhibition of Cysteine protease Calpain 2	ChEMBL.	8831774
Ki (binding)	= 0.6 nM	Inhibition of the cysteine protease human Calpain 1	ChEMBL.	8831774
Ki (binding)	= 0.64 nM	Inhibition of bovine cathepsin B	ChEMBL.	8831774
Ki (binding)	= 0.34 uM	Compound was evaluated for the inhibition of Cysteine protease Calpain 2	ChEMBL.	8831774
Ki (binding)	= 0.6 uM	Inhibition of the cysteine protease human Calpain 1	ChEMBL.	8831774
Ki (binding)	= 0.64 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: CHEMBL337684

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 229271