TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 446.58 | Formula: C25H38N2O5
H donors: 2 H acceptors: 4 LogP: 4.75 Rotable bonds: 17
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C(=O)C(NC(=O)C(NC(=O)CCC(Cc1ccccc1)C)CC(C)C)CC
InChi: 1S/C25H38N2O5/c1-6-20(23(29)25(31)32-7-2)27-24(30)21(15-17(3)4)26-22(28)14-13-18(5)16-19-11-9-8-10-12-19/h8-12,17-18,20-21H,6-7,13-16H2,1-5H3,(H,26,28)(H,27,30)
InChiKey: PWUXNAGOBAFCRC-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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Calpain-A, 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
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
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	Calpain-1 catalytic subunit, putative	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
Brugia malayi	calpain family protein 1	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
Echinococcus multilocularis	calpain A	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	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_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 multilocularis	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	calpain A	calpain 2, (m/II) large subunit	622 aa	663 aa	31.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus granulosus	neuropeptide s receptor	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus multilocularis	cathepsin b	0.0166	0.2791	0.2689
Schistosoma mansoni	myosin xvIII	0.0031	0.0263	0.0124
Brugia malayi	G-protein coupled receptor	0.0031	0.0263	0.094
Brugia malayi	Dopamine receptor protein 1	0.0031	0.0263	0.094
Schistosoma mansoni	hypothetical protein	0.0031	0.0263	0.0124
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0031	0.0263	0.0124
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0263	0.0124
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0263	0.0124
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0025	0.014	0.1997
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0263	0.0124
Echinococcus granulosus	neuropeptide Y receptor	0.0031	0.0263	0.0124
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0031	0.0263	0.094
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0263	0.0124
Loa Loa (eye worm)	neuropeptide F receptor	0.0031	0.0263	0.0263
Schistosoma mansoni	neuropeptide receptor	0.0031	0.0263	0.0124
Brugia malayi	G protein-coupled receptor F59B2.13	0.0031	0.0263	0.094
Brugia malayi	calpain family protein 1	0.0066	0.0911	0.3263
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0444	0.0444
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus multilocularis	neuropeptide Y receptor	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus multilocularis	cathepsin b	0.0166	0.2791	0.2689
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0911	0.0911
Echinococcus granulosus	g-protein coupled receptor	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0031	0.0263	0.0124
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0263	0.0124
Loa Loa (eye worm)	neuropeptide F receptor	0.0031	0.0263	0.0263
Echinococcus multilocularis	serotonin receptor	0.0549	1	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0263	0.0124
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.0702	0.057
Schistosoma mansoni	neuropeptide receptor	0.0031	0.0263	0.0124
Brugia malayi	hypothetical protein	0.0031	0.0263	0.094
Schistosoma mansoni	histamine h1 receptor	0.0031	0.0263	0.0124
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0031	0.0263	0.094
Schistosoma mansoni	neuropeptide receptor	0.0031	0.0263	0.0124
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0025	0.014	0.0503
Brugia malayi	ORL1-like opioid receptor	0.0031	0.0263	0.094
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0025	0.014	0.0503
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0025	0.014	0.0503
Onchocerca volvulus		0.0041	0.0444	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0031	0.0263	0.0124
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0263	0.0124
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0031	0.0263	0.094
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0263	0.0124
Schistosoma mansoni	growth hormone secretagogue receptor	0.0031	0.0263	0.0124
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0263	0.0124
Brugia malayi	follicle stimulating hormone receptor	0.0031	0.0263	0.094
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Trypanosoma brucei	calpain-like protein, putative	0.0025	0.014	0.1997
Echinococcus granulosus	biogenic amine 5HT receptor	0.0031	0.0263	0.0124
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0055	0.0702	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.0263	0.0124
Loa Loa (eye worm)	calpain family protein 1	0.0066	0.0911	0.0911
Echinococcus multilocularis	neuropeptide Y receptor	0.0031	0.0263	0.0124
Brugia malayi	GnHR receptor homolog	0.0031	0.0263	0.094
Schistosoma mansoni	neuropeptide F-like receptor	0.0031	0.0263	0.0124
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0025	0.014	0.0503
Echinococcus granulosus	fmrfamide receptor	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0055	0.0702	1
Echinococcus granulosus	g protein coupled receptor	0.0031	0.0263	0.0124
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0031	0.0263	0.0124
Echinococcus granulosus	neuropeptides capa receptor	0.0031	0.0263	0.0124
Brugia malayi	neuropeptide F receptor	0.0031	0.0263	0.094
Brugia malayi	hypothetical protein	0.0031	0.0263	0.094
Schistosoma mansoni	opsin-like receptor	0.0031	0.0263	0.0124
Schistosoma mansoni	opsin-like receptor	0.0031	0.0263	0.0124
Echinococcus multilocularis	g-protein coupled receptor	0.0031	0.0263	0.0124
Echinococcus granulosus	g protein coupled receptor	0.0031	0.0263	0.0124
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0069	0.0967	0.0838
Brugia malayi	hypothetical protein	0.0031	0.0263	0.094
Echinococcus multilocularis	fmrfamide receptor	0.0031	0.0263	0.0124
Echinococcus multilocularis	neuropeptides capa receptor	0.0031	0.0263	0.0124
Echinococcus granulosus	calpain A	0.0069	0.0967	0.0838
Loa Loa (eye worm)	cathepsin B	0.0055	0.0702	0.0702
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0031	0.0263	0.0124
Brugia malayi	calpain family protein 1	0.0066	0.0911	0.3263
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0031	0.0263	0.0124
Echinococcus multilocularis	sex peptide receptor	0.0031	0.0263	0.0124
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0031	0.0263	0.0124
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0549	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus multilocularis	serotonin receptor	0.0549	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0263	0.0124
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0066	0.0911	0.0781
Brugia malayi	hypothetical protein	0.0031	0.0263	0.094
Echinococcus granulosus	g protein coupled receptor	0.0031	0.0263	0.0124
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0031	0.0263	0.0124
Brugia malayi	hypothetical protein	0.0031	0.0263	0.094
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0025	0.014	0.1997
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0031	0.0263	0.094
Echinococcus multilocularis	neuropeptide receptor	0.0031	0.0263	0.0124
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0166	0.2791	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0263	0.0124
Giardia lamblia	Cathepsin B precursor	0.0055	0.0702	0.5
Schistosoma mansoni	amine GPCR	0.0031	0.0263	0.0124
Schistosoma mansoni	biogenic amine receptor	0.0031	0.0263	0.0124
Brugia malayi	hypothetical protein	0.0031	0.0263	0.094
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0025	0.014	0.0503
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Schistosoma mansoni	amine GPCR	0.0031	0.0263	0.0124
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0031	0.0263	0.0124
Echinococcus multilocularis	neuropeptides capa receptor	0.0031	0.0263	0.0124
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0031	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0031	0.0263	0.0124
Echinococcus granulosus	neuropeptide receptor	0.0031	0.0263	0.0124
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0263	0.0124
Echinococcus multilocularis	g protein coupled receptor	0.0031	0.0263	0.0124
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Brugia malayi	hypothetical protein	0.0031	0.0263	0.094
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0031	0.0263	0.0263
Trypanosoma brucei	calpain-like protein, putative	0.0025	0.014	0.1997
Echinococcus multilocularis	neuropeptide receptor	0.0031	0.0263	0.0124
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0025	0.014	0.1997
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Entamoeba histolytica	protein kinase, putative	0.0017	0	0.5
Echinococcus granulosus	orexin receptor type 2	0.0031	0.0263	0.0124
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.0263	0.0124
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.0263	0.0124
Echinococcus granulosus	neuropeptide receptor	0.0031	0.0263	0.0124
Schistosoma mansoni	biogenic amine receptor	0.0031	0.0263	0.0124
Echinococcus multilocularis	neuropeptide receptor A26	0.0031	0.0263	0.0124
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0069	0.0967	0.0838
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0031	0.0263	0.094
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0025	0.014	0.0503
Brugia malayi	putative neuropeptide receptor NPR1	0.0031	0.0263	0.094
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2791	0.2791
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0263	0.0124
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Brugia malayi	neuropeptide F receptor	0.0031	0.0263	0.094
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus granulosus	allatostatin A receptor	0.0031	0.0263	0.0124
Schistosoma mansoni	amine GPCR	0.0031	0.0263	0.0124
Brugia malayi	hypothetical protein	0.0031	0.0263	0.094
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0031	0.0263	0.0124
Loa Loa (eye worm)	G-protein coupled receptor	0.0031	0.0263	0.0263
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.2791	0.2689
Schistosoma mansoni	adenoreceptor	0.0031	0.0263	0.0124
Giardia lamblia	Cathepsin B precursor	0.0055	0.0702	0.5
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0025	0.014	0.0503
Toxoplasma gondii	cathepsin B	0.0055	0.0702	0.5
Brugia malayi	hypothetical protein	0.0031	0.0263	0.094
Echinococcus granulosus	cathepsin b	0.0166	0.2791	0.2689
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0031	0.0263	0.0263
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Loa Loa (eye worm)	calpain	0.0025	0.014	0.014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0263	0.0124
Echinococcus granulosus	neuropeptide FF receptor 2	0.0031	0.0263	0.0124
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0031	0.0263	0.0124
Schistosoma mansoni	neuropeptide f receptor 76f	0.0031	0.0263	0.0124
Brugia malayi	cathepsin B-like cysteine proteinase	0.0166	0.2791	1
Echinococcus granulosus	7TM GPCR rhodopsin	0.0031	0.0263	0.0124
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0031	0.0263	0.0124
Brugia malayi	AKH receptor	0.0031	0.0263	0.094
Brugia malayi	RE15519p	0.0031	0.0263	0.094
Echinococcus granulosus	dro:myosuppressin receptor	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0025	0.014	0.1997
Schistosoma mansoni	neuropeptide F-like receptor	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0166	0.2791	0.2689
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0263	0.0124
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0031	0.0263	0.0124
Echinococcus granulosus	sex peptide receptor	0.0031	0.0263	0.0124
Echinococcus granulosus	cathepsin b	0.0166	0.2791	0.2689
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0031	0.0263	0.0124
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0031	0.0263	0.0124
Echinococcus granulosus	neuropeptides capa receptor	0.0031	0.0263	0.0124
Echinococcus granulosus	G protein coupled receptor 139	0.0031	0.0263	0.0124
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0069	0.0967	0.0838
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0031	0.0263	0.0124
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0025	0.014	0.0503
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0031	0.0263	0.0124
Trypanosoma brucei	antigen, putative	0.0025	0.014	0.1997
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.2791	0.2689
Echinococcus multilocularis	g protein coupled receptor	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Brugia malayi	sulfakinin receptor protein	0.0031	0.0263	0.094
Echinococcus multilocularis	neuropeptide s receptor	0.0031	0.0263	0.0124
Echinococcus multilocularis	allatostatin A receptor	0.0031	0.0263	0.0124
Giardia lamblia	Cathepsin B precursor	0.0055	0.0702	0.5
Brugia malayi	Serotonin receptor	0.0031	0.0263	0.094
Echinococcus granulosus	hypothetical protein	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus granulosus	serotonin receptor	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0069	0.0967	0.0838
Brugia malayi	Dopamine receptor protein 2	0.0031	0.0263	0.094
Echinococcus granulosus	7tm_1 domain containing protein	0.0031	0.0263	0.0124
Brugia malayi	G protein-coupled receptor	0.0031	0.0263	0.094
Echinococcus granulosus	neuropeptide Y receptor	0.0031	0.0263	0.0124
Echinococcus multilocularis	somatostatin receptor	0.0031	0.0263	0.0124
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0031	0.0263	0.0124
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.0263	0.0124
Brugia malayi	hypothetical protein	0.0031	0.0263	0.094
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Loa Loa (eye worm)	calpain family protein 1	0.0048	0.0584	0.0584
Brugia malayi	putative neuropeptide receptor	0.0031	0.0263	0.094
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0584	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus granulosus	tm gpcr rhodopsin	0.0031	0.0263	0.0124
Echinococcus multilocularis	G protein coupled receptor 139	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Brugia malayi	larval opioid receptor	0.0031	0.0263	0.094
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0025	0.014	0.0503
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0031	0.0263	0.0124
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0031	0.0263	0.0124
Echinococcus multilocularis	dro:myosuppressin receptor	0.0031	0.0263	0.0124
Trypanosoma brucei	calpain-like protein, putative	0.0025	0.014	0.1997
Echinococcus granulosus	somatostatin receptor	0.0031	0.0263	0.0124
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0031	0.0263	0.0124
Echinococcus multilocularis	g protein coupled receptor	0.0031	0.0263	0.0124
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0017	0	0.5
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0031	0.0263	0.0124
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0031	0.0263	0.0124
Schistosoma mansoni	amine GPCR	0.0031	0.0263	0.0124
Schistosoma mansoni	neuropeptide receptor	0.0031	0.0263	0.0124
Schistosoma mansoni	hypothetical protein	0.0031	0.0263	0.0124
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0055	0.0702	1
Brugia malayi	calpain 7	0.0025	0.014	0.0503
Schistosoma mansoni	hypothetical protein	0.0031	0.0263	0.0124
Schistosoma mansoni	amine GPCR	0.0031	0.0263	0.0124
Loa Loa (eye worm)	TYRA-2 protein	0.0031	0.0263	0.0263
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0031	0.0263	0.0263
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0025	0.014	0.0503
Brugia malayi	G-protein coupled receptor	0.0031	0.0263	0.094
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0031	0.0263	0.0124
Echinococcus multilocularis	calpain family protein 1, d	0.0048	0.0584	0.045
Echinococcus multilocularis	orexin receptor type 2	0.0031	0.0263	0.0124
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0031	0.0263	0.0124
Echinococcus granulosus	neuropeptide receptor A26	0.0031	0.0263	0.0124
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0031	0.0263	0.0263
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.2791	0.2689
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0055	0.0702	0.2517
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0031	0.0263	0.0124
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0031	0.0263	0.0124
Brugia malayi	Melatonin receptor type 1A	0.0031	0.0263	0.094
Schistosoma mansoni	opsin-like receptor	0.0031	0.0263	0.0124
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.0263	0.0124
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0031	0.0263	0.0124
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0025	0.014	0.1997
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0031	0.0263	0.0124
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0031	0.0263	0.0124
Brugia malayi	Serotonin receptor	0.0031	0.0263	0.094
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus multilocularis	fmrfamide receptor	0.0031	0.0263	0.0124
Trypanosoma brucei	calpain-like protein, putative	0.0025	0.014	0.1997
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Schistosoma mansoni	biogenic amine receptor	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0549	1	1
Plasmodium vivax	calpain, putative	0.0025	0.014	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0031	0.0263	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0549	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0031	0.0263	0.0124
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0031	0.0263	0.0124
Echinococcus granulosus	tm gpcr rhodopsin	0.0031	0.0263	0.0124
Brugia malayi	Dopamine receptor	0.0031	0.0263	0.094
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0771	0.0771
Echinococcus granulosus	tm gpcr rhodopsin	0.0031	0.0263	0.0124
Loa Loa (eye worm)	melatonin receptor type 1A	0.0031	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0263	0.0263
Echinococcus multilocularis	calpain A	0.0069	0.0967	0.0838
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0031	0.0263	0.0124
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0031	0.0263	0.0124
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0031	0.0263	0.094
Loa Loa (eye worm)	G-protein coupled receptor	0.0031	0.0263	0.0263

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 1.6 uM	Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0	ChEMBL.	8230139
Ki (binding)	= 1.6 uM	Inhibitory activity of alpha-keto esters towards calpain 2 at pH 8.0	ChEMBL.	8230139
Ki (binding)	= 24 uM	Inhibition of alpha-keto esters towards cathepsin B at pH 5.2	ChEMBL.	8230139
Ki (binding)	= 24 uM	Inhibition of alpha-keto esters towards cathepsin B at pH 5.2	ChEMBL.	8230139

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: CHEMBL332924

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 203308