TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 431.588 | Formula: C24H33NO4S
H donors: 1 H acceptors: 4 LogP: 4.99 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: O=C[C@@H](NC(=O)[C@@H](CC(C)C)CCS(=O)(=O)c1ccc2c(c1)cccc2)CC(C)C
InChi: 1S/C24H33NO4S/c1-17(2)13-21(24(27)25-22(16-26)14-18(3)4)11-12-30(28,29)23-10-9-19-7-5-6-8-20(19)15-23/h5-10,15-18,21-22H,11-14H2,1-4H3,(H,25,27)/t21-,22+/m1/s1
InChiKey: ZIHDCWGBLPZTRG-YADHBBJMSA-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	No references
Homo sapiens	cathepsin B	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Loa Loa (eye worm)	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
Leishmania donovani	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
Schistosoma mansoni	SmCB2 peptidase (C01 family)	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
Echinococcus multilocularis	cathepsin b	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
Toxoplasma gondii	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
Schistosoma japonicum	ko:K08585 calpain, invertebrate, putative	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
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-1 catalytic subunit, putative	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
Brugia malayi	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
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
Echinococcus multilocularis	calpain A	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
Neospora caninum	Cathepsin B-like protease (Precursor), related	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	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
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 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
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
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
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
Loa Loa (eye worm)	hypothetical protein	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
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
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
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)	hypothetical protein	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
Echinococcus granulosus	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
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
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
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
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)	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	cathepsin B-like cysteine proteinase	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
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	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
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
Trypanosoma congolense	cysteine peptidase C (CPC)	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
Plasmodium falciparum	dipeptidyl aminopeptidase 1	cathepsin B	339 aa	368 aa	26.9 %
Echinococcus granulosus	calpain A	calpain 1, (mu/I) large subunit	714 aa	753 aa	31.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0278	0.0278
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0237	0.0237
Schistosoma mansoni	dep domain containing protein	0.0009	0.0008	0.0008
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Loa Loa (eye worm)	DIX domain-containing protein	0.0009	0.0008	0.0008
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Onchocerca volvulus		0.0041	0.0345	0.1351
Echinococcus multilocularis	geminin	0.0184	0.1856	0.1961
Schistosoma mansoni	dishevelled	0.0009	0.0008	0.0008
Onchocerca volvulus		0.0037	0.0305	0.1189
Echinococcus granulosus	cathepsin b	0.0166	0.1667	0.1667
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0004	0.0004
Echinococcus multilocularis	cathepsin b	0.0166	0.1667	0.1761
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0305	0.0305
Brugia malayi	RNA binding protein	0.007	0.0657	0.0657
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0055	0.049	1
Brugia malayi	N-terminal motif family protein	0.0186	0.1884	0.1884
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0237	0.0237
Entamoeba histolytica	protein kinase, putative	0.0017	0.0095	0.369
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0031	0.0109
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0025	0.0174	0.0872
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Echinococcus multilocularis	hypothetical protein	0.0025	0.0174	0.0184
Schistosoma mansoni	dishevelled	0.0009	0.0008	0.0008
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0305	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0305	0.0305
Plasmodium falciparum	cytochrome b	0.0953	1	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0305	0.5829
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.002	0.0124	0.5386
Schistosoma mansoni	hypothetical protein	0.0035	0.0278	0.0278
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0305	0.1672
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.002	0.0124	0.074
Brugia malayi	calpain family protein 1	0.0066	0.0608	0.0608
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0278	0.0278
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0008	0.0008
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1667	0.1667
Echinococcus granulosus	GPCR family 2	0.0035	0.0278	0.0278
Toxoplasma gondii	cathepsin B	0.0055	0.049	0.0483
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0008	0.0008
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0657	0.0657
Schistosoma mansoni	regulator of G protein signaling	0.0009	0.0008	0.0008
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0013	0.0045	0.0164
Toxoplasma gondii	ABC1 family protein	0.0037	0.0305	0.0297
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0305	0.5
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0055	0.049	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0174	0.0872
Echinococcus granulosus	calpain	0.0025	0.0174	0.0174
Toxoplasma gondii	apocytochrome b, putative	0.0953	1	1
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0278	0.0278
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.002	0.0124	0.0124
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0278	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0305	0.0305
Echinococcus granulosus	calpain A	0.0069	0.0639	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0608	0.0608
Trichomonas vaginalis	set domain proteins, putative	0.0245	0.25	1
Leishmania major	hypothetical protein, conserved	0.0037	0.0305	0.5303
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Schistosoma mansoni	calpain-7 (C02 family)	0.0025	0.0174	0.0174
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0069	0.0639	0.0639
Schistosoma mansoni	cytochrome b	0.0953	1	1
Echinococcus granulosus	calpain 5	0.0025	0.0174	0.0174
Brugia malayi	beta-lactamase	0.0037	0.0305	0.0305
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0305	0.1204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0031	0.0109
Loa Loa (eye worm)	calpain family protein 1	0.0066	0.0608	0.0608
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0009	0.0008	0.0009
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.002	0.0124	0.1777
Echinococcus multilocularis	calpain family protein 1, d	0.0048	0.0424	0.0448
Brugia malayi	Calcitonin receptor-like protein seb-1	0.011	0.1071	0.1071
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0305	0.0305
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0657	0.0657
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0305	0.0305
Schistosoma mansoni	hypothetical protein	0.0035	0.0278	0.0278
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0238	0.2426	1
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0009	0.0008	0.0008
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0174	0.2894
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0278	0.0294
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0009	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0305	0.0305
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0009	0.0004	0.0004
Plasmodium vivax	cytochrome b	0.0953	1	1
Schistosoma mansoni	calpain-7 (C02 family)	0.0025	0.0174	0.0174
Echinococcus granulosus	geminin	0.0184	0.1856	0.1856
Schistosoma mansoni	hypothetical protein	0.0009	0.0004	0.0004
Echinococcus multilocularis	cathepsin b	0.0166	0.1667	0.1761
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0055	0.049	0.2808
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.002	0.0124	0.1777
Brugia malayi	DIX domain containing protein	0.0009	0.0008	0.0008
Brugia malayi	calpain 7	0.0025	0.0174	0.0174
Mycobacterium ulcerans	lipase LipD	0.0037	0.0305	0.5
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0009	0.0004	0.0004
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.002	0.0124	0.0131
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0008	0.0008
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0657	0.0657
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0237	0.0251
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0174	0.1997
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0163	0.0163
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.002	0.0124	0.074
Entamoeba histolytica	hypothetical protein	0.0028	0.0204	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.002	0.0124	0.0124
Brugia malayi	regulator of G-protein signaling egl-10	0.0009	0.0008	0.0008
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0011	0.0031	0.0031
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0031	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0186	0.1884	0.1884
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0305	0.0305
Echinococcus granulosus	calpain 7 C02 family	0.0025	0.0174	0.0174
Schistosoma mansoni	calpain C (C02 family)	0.0025	0.0174	0.0174
Loa Loa (eye worm)	hypothetical protein	0.011	0.1071	0.1071
Onchocerca volvulus		0.0031	0.0237	0.092
Brugia malayi	beta-lactamase family protein	0.0037	0.0305	0.0305
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.002	0.0125	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0345	0.0345
Brugia malayi	cathepsin B-like cysteine proteinase	0.0166	0.1667	0.1667
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0305	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0031	0.0109
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.1667	0.1667
Brugia malayi	Pre-SET motif family protein	0.0031	0.0237	0.0237
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0008	0.0009
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.002	0.0124	0.0568
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Trichomonas vaginalis	esterase, putative	0.0037	0.0305	0.1204
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0024	0.0163	0.0804
Toxoplasma gondii	target of rapamycin (TOR), putative	0.002	0.0124	0.0116
Brugia malayi	TAR-binding protein	0.007	0.0657	0.0657
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0278	0.0278
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0305	0.0133
Brugia malayi	beta-lactamase family protein	0.0037	0.0305	0.0305
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Echinococcus granulosus	tar DNA binding protein	0.007	0.0657	0.0657
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0.0045	0.0164
Trypanosoma brucei	calpain-like protein, putative	0.0025	0.0174	0.2894
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.011	0.1071	0.1071
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0045	0.0045
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.002	0.0124	0.0124
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.002	0.0124	0.0568
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0657	0.0657
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0305	0.5
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0704	0.0704
Brugia malayi	calpain 5	0.0017	0.0095	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0424	0.0424
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.002	0.0124	0.0124
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0011	0.0031	0.0033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0069	0.0639	0.0639
Wolbachia endosymbiont of Brugia malayi	cytochrome b subunit of the bc complex	0.0953	1	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0237	0.0237
Schistosoma mansoni	z-protein (S1r protein)	0.0009	0.0008	0.0008
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0028	0.0204	0.3564
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0305	0.0322
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.1667	0.1667
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0008	0.0009
Trypanosoma brucei	calpain-like protein, putative	0.0025	0.0174	0.2894
Loa Loa (eye worm)	phosphatidylinositol 3	0.002	0.0124	0.0124
Loa Loa (eye worm)	TAR-binding protein	0.007	0.0657	0.0657
Schistosoma mansoni	hypothetical protein	0.0075	0.0704	0.0704
Echinococcus granulosus	cytochrome B	0.0953	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0305	0.1204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0305	0.5
Toxoplasma gondii	FATC domain-containing protein	0.0028	0.0204	0.0196
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0009	0.0008	0.0008
Echinococcus multilocularis	calpain A	0.0069	0.0639	0.0676
Loa Loa (eye worm)	calpain 5	0.0017	0.0095	0.0095
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0174	0.0872
Plasmodium vivax	SET domain protein, putative	0.0031	0.0237	0.0065
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0237	0.0229
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0305	0.1672
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0008	0.0008
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0186	0.1884	0.7529
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.002	0.0124	0.1777
Schistosoma mansoni	calpain (C02 family)	0.0025	0.0174	0.0174
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0025	0.0174	0.0174
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.002	0.0124	0.0124
Brugia malayi	hypothetical protein	0.0009	0.0008	0.0008
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0031	0.0109
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0278	0.0278
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0305	0.0305
Trypanosoma brucei	calpain-like protein, putative	0.0025	0.0174	0.2894
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0305	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0278	0.0294
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0008	0.0008
Trypanosoma cruzi	kinesin, putative	0.0017	0.0095	0.0389
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0008	0.0009
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0174	0.0872
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.002	0.0124	0.0124
Brugia malayi	FAT domain containing protein	0.0009	0.0004	0.0004
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0657	0.0657
Echinococcus granulosus	serine protein kinase ATM	0.0028	0.0204	0.0204
Leishmania major	phosphatidylinositol 3-kinase, putative	0.002	0.0124	0.074
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0174	0.1997
Echinococcus multilocularis	calpain 7 (C02 family)	0.0025	0.0174	0.0184
Schistosoma mansoni	hypothetical protein	0.0184	0.1856	0.1856
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0305	0.1204
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0013	0.0045	0.0037
Onchocerca volvulus		0.0245	0.25	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0008	0.0008
Echinococcus multilocularis	calpain 5	0.0025	0.0174	0.0184
Trypanosoma cruzi	target of rapamycin kinase 3	0.002	0.0124	0.0568
Loa Loa (eye worm)	MH2 domain-containing protein	0.0123	0.1216	0.1216
Trypanosoma cruzi	kinesin, putative	0.0017	0.0095	0.0389
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Loa Loa (eye worm)	cathepsin B	0.0055	0.049	0.049
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0305	0.1204
Brugia malayi	Pre-SET motif family protein	0.0215	0.2186	0.2186
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.002	0.0124	0.1777
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0031	0.0109
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0069	0.0639	0.0676
Giardia lamblia	Cathepsin B precursor	0.0055	0.049	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0025	0.0174	0.2894
Loa Loa (eye worm)	transcription factor SMAD2	0.0123	0.1216	0.1216
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0305	0.0305
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0017	0.0095	0.369
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.1667	0.1667
Giardia lamblia	Cathepsin B precursor	0.0055	0.049	1
Trypanosoma brucei	kinesin, putative	0.0017	0.0095	0.112
Brugia malayi	hypothetical protein	0.0009	0.0008	0.0008
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0237	0.0251
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0025	0.0174	0.0872
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0204	0.08
Brugia malayi	RNA recognition motif domain containing protein	0.007	0.0657	0.0657
Trypanosoma brucei	calpain-like protein, putative	0.0025	0.0174	0.2894
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.002	0.0124	0.0131
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.002	0.0124	0.1777
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.049	0.049
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0008	0.0008
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.002	0.0124	0.0568
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0008	0.0009
Brugia malayi	calpain family protein 1	0.0066	0.0608	0.0608
Toxoplasma gondii	cytochrome b	0.0953	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0237	0.0237
Giardia lamblia	Cathepsin B precursor	0.0055	0.049	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0305	0.0305
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0025	0.0174	0.0872
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0305	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0278	0.0278
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0025	0.0174	0.0872
Echinococcus granulosus	cathepsin b	0.0166	0.1667	0.1667
Loa Loa (eye worm)	RNA binding protein	0.007	0.0657	0.0657
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0025	0.0174	0.0872
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0055	0.049	0.1949
Loa Loa (eye worm)	calpain	0.0025	0.0174	0.0174
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.002	0.0124	0.0124
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0028	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0305	0.0305
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0011	0.0031	0.0031
Trypanosoma brucei	antigen, putative	0.0025	0.0174	0.2894
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0529	0.0529
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.002	0.0124	0.0568
Schistosoma mansoni	hypothetical protein	0.0035	0.0278	0.0278
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0008	0.0008
Brugia malayi	latrophilin 2 splice variant baaae	0.0075	0.0704	0.0704
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.002	0.0124	0.074
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0215	0.2186	0.2186
Schistosoma mansoni	hypothetical protein	0.0035	0.0278	0.0278
Onchocerca volvulus		0.0037	0.0305	0.1189
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0028	0.0204	0.1055
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0066	0.0608	0.0608
Loa Loa (eye worm)	calpain family protein 1	0.0048	0.0424	0.0424
Onchocerca volvulus		0.0037	0.0305	0.1189
Echinococcus granulosus	calpain A	0.0025	0.0174	0.0174
Schistosoma mansoni	hypothetical protein	0.0184	0.1856	0.1856
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0166	0.1667	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0069	0.0639	0.0639
Echinococcus multilocularis	serine protein kinase ATM	0.0028	0.0204	0.0215
Echinococcus multilocularis	calpain	0.0025	0.0174	0.0184
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.002	0.0124	0.074
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0166	0.1667	0.1667
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.007	0.0657	0.0657
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0225	0.0225
Loa Loa (eye worm)	cytochrome b	0.0953	1	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0174	0.0872
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0902	0.9464	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.002	0.0124	0.0481
Echinococcus multilocularis	tar DNA binding protein	0.007	0.0657	0.0695
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0025	0.0174	0.0872
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0305	0.1204
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0237	0.0237
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0025	0.0174	0.1997
Schistosoma mansoni	cytochrome b	0.0953	1	1
Brugia malayi	MH2 domain containing protein	0.0123	0.1216	0.1216
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0237	0.0237
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0031	0.0109
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0011	0.0031	0.0031
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.002	0.0124	0.5386
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0028	0.0204	0.0204
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.011	0.1071	0.1071
Leishmania major	phosphatidylinositol kinase related protein, putative	0.002	0.0125	0.075

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 500 nM	Inhibitory activity of the compound was determined using recombinant human Calpain 1 with Suc-Leu-Tyr-MNA as substrate.	ChEMBL.	No reference
IC50 (binding)	= 500 nM	Inhibitory activity of the compound was determined using recombinant human Calpain 1 with Suc-Leu-Tyr-MNA as substrate.	ChEMBL.	No reference
IC50 (binding)	= 4500 nM	Inhibitory activity of the compound was determined using cysteine protease, Cathepsin B with Cbz-Phe-Arg-AMC as substrate.	ChEMBL.	No reference
IC50 (binding)	= 4500 nM	Inhibitory activity of the compound was determined using cysteine protease, Cathepsin B with Cbz-Phe-Arg-AMC as substrate.	ChEMBL.	No reference
Inhibition (binding)	= 2 %	Inhibitory activity of the compound was determined using serine protease, thrombin with Cbz-Phe-Val-Arg-AMC as substrate. The percent inhibition at 10 microM concentration, was reported.	ChEMBL.	No reference
Inhibition (binding)	= 2 %	Inhibitory activity of the compound was determined using serine protease, thrombin with Cbz-Phe-Val-Arg-AMC as substrate. The percent inhibition at 10 microM concentration, was reported.	ChEMBL.	No reference
Inhibition (binding)	= 12 %	Inhibitory activity of the compound was determined using serine protease, alpha-chymotrypsin with Succ-Ala-Ala-Pro-Phe-AMC as substrate. The percent inhibition at 10 microM concentration, was reported.	ChEMBL.	No reference
Inhibition (binding)	= 12 %	Inhibitory activity of the compound was determined using serine protease, alpha-chymotrypsin with Succ-Ala-Ala-Pro-Phe-AMC as substrate. The percent inhibition at 10 microM concentration, was reported.	ChEMBL.	No reference

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.

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External resources for this compound

ChEMBL: CHEMBL316721

Bibliographic References

No literature references available for this target.

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Detailed information for compound 164353