TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 720.638 | Formula: C38H39Cl2N3O7
H donors: 4 H acceptors: 5 LogP: 7.35 Rotable bonds: 20
Rule of 5 violations (Lipinski): 2
SMILES: CC(CC(C(=O)NC(C(=O)C(=O)NCC(c1cccc(c1)Oc1ccc(c(c1)Cl)Cl)O)Cc1ccccc1)NC(=O)OCc1ccccc1)C
InChi: 1S/C38H39Cl2N3O7/c1-24(2)18-33(43-38(48)49-23-26-12-7-4-8-13-26)36(46)42-32(19-25-10-5-3-6-11-25)35(45)37(47)41-22-34(44)27-14-9-15-28(20-27)50-29-16-17-30(39)31(40)21-29/h3-17,20-21,24,32-34,44H,18-19,22-23H2,1-2H3,(H,41,47)(H,42,46)(H,43,48)
InChiKey: PCBGEKNWVUOWNB-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, 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
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	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
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
Onchocerca volvulus		Get druggable targets OG5_127139	All targets in OG5_127139
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127139	All targets in OG5_127139
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	Get druggable targets OG5_127800	All targets in OG5_127800
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
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
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
Giardia lamblia	Cathepsin B precursor	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	ko:K08585 calpain, invertebrate, putative	Get druggable targets OG5_127139	All targets in OG5_127139
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	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
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Leishmania braziliensis	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	Get druggable targets OG5_127800	All targets in OG5_127800
Loa Loa (eye worm)	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 multilocularis	calpain family protein 1, d	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 japonicum	ko:K01363 cathepsin B [EC3.4.22.1], 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 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
Toxoplasma gondii	cathepsin B	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
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
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus multilocularis	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
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 granulosus	calpain A	Get druggable targets OG5_127139	All targets in OG5_127139
Echinococcus multilocularis	calpain A	Get druggable targets OG5_127139	All targets in OG5_127139
Brugia malayi	calpain family protein 1	Get druggable targets OG5_127139	All targets in OG5_127139
Echinococcus granulosus	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Brugia malayi	cathepsin B-like cysteine proteinase	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus granulosus	cathepsin b	Get druggable targets OG5_127800	All targets in OG5_127800
Loa Loa (eye worm)	hypothetical protein	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
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)	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
Trypanosoma brucei gambiense	cysteine peptidase C (CPC), putative,CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Echinococcus granulosus	family C2 unassigned peptidase C02 family	Get druggable targets OG5_127139	All targets in OG5_127139
Schistosoma japonicum	Cathepsin B-like cysteine proteinase precursor, putative	Get druggable targets OG5_127800	All targets in OG5_127800
Neospora caninum	Cathepsin B-like protease (Precursor), related	Get druggable targets OG5_127800	All targets in OG5_127800
Trypanosoma congolense	cysteine peptidase C (CPC)	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	Get druggable targets OG5_127139	All targets in OG5_127139
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	Get druggable targets OG5_127800	All targets in OG5_127800
Schistosoma mansoni	SmCB2 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 mansoni	cathepsin B-like peptidase (C01 family)	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
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

By sequence similarity to non orthologous known druggable targets

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	TYRA-2 protein	0.0098	0.108	0.108
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Onchocerca volvulus		0.0098	0.108	1
Echinococcus multilocularis	orexin receptor type 2	0.0098	0.108	0.4177
Echinococcus granulosus	cathepsin b	0.0166	0.2585	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus granulosus	sex peptide receptor	0.0098	0.108	0.4177
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0098	0.108	0.4177
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0098	0.108	0.4177
Schistosoma mansoni	amine GPCR	0.0098	0.108	0.4177
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0098	0.108	0.108
Brugia malayi	calpain family protein 1	0.0132	0.1824	0.1824
Echinococcus multilocularis	G protein coupled receptor 139	0.0098	0.108	0.4177
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	G-protein coupled receptor	0.0098	0.108	0.108
Brugia malayi	Dopamine receptor protein 1	0.0098	0.108	0.108
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0098	0.108	0.4177
Schistosoma mansoni	amine GPCR	0.0098	0.108	0.4177
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0719	0.0719
Schistosoma mansoni	neuropeptide receptor	0.0098	0.108	0.4177
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0098	0.108	0.4177
Brugia malayi	RE15519p	0.0098	0.108	0.108
Brugia malayi	ORL1-like opioid receptor	0.0098	0.108	0.108
Schistosoma mansoni	hypothetical protein	0.0098	0.108	0.4177
Schistosoma mansoni	hypothetical protein	0.0098	0.108	0.4177
Schistosoma mansoni	biogenic amine receptor	0.0098	0.108	0.4177
Echinococcus multilocularis	serotonin receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus granulosus	serotonin receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0098	0.108	0.108
Echinococcus multilocularis	neuropeptide s receptor	0.0098	0.108	0.4177
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0138	0.1956	0.7568
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Onchocerca volvulus		0.0098	0.108	1
Brugia malayi	G-protein coupled receptor	0.0098	0.108	0.108
Onchocerca volvulus		0.0098	0.108	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0098	0.108	0.4177
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0098	0.108	0.108
Schistosoma mansoni	amine GPCR	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0098	0.108	0.4177
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0055	0.0113	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.108	0.4177
Brugia malayi	G-protein coupled receptor	0.0098	0.108	0.108
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0098	0.108	0.4177
Echinococcus granulosus	biogenic amine 5HT receptor	0.0098	0.108	0.4177
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0098	0.108	0.108
Echinococcus granulosus	rhodopsin orphan GPCR	0.0098	0.108	0.4177
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0098	0.108	0.108
Brugia malayi	cathepsin B-like cysteine proteinase	0.0166	0.2585	0.2585
Onchocerca volvulus		0.0098	0.108	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0098	0.108	0.4177
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0098	0.108	0.4177
Echinococcus granulosus	neuropeptide receptor A26	0.0098	0.108	0.4177
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0098	0.108	0.108
Echinococcus multilocularis	calpain A	0.0138	0.1956	0.7568
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Brugia malayi	hypothetical protein	0.0098	0.108	0.108
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0098	0.108	0.108
Echinococcus granulosus	allatostatin A receptor	0.0098	0.108	0.4177
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Schistosoma mansoni	opsin-like receptor	0.0098	0.108	0.4177
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0098	0.108	0.4177
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0098	0.108	0.4177
Echinococcus granulosus	g protein coupled receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Loa Loa (eye worm)	neuropeptide F receptor	0.0098	0.108	0.108
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0098	0.108	0.4177
Brugia malayi	hypothetical protein	0.0098	0.108	0.108
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0055	0.0113	0.0437
Echinococcus granulosus	hypothetical protein	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus granulosus	tm gpcr rhodopsin	0.0098	0.108	0.4177
Schistosoma mansoni	neuropeptide F-like receptor	0.0098	0.108	0.4177
Onchocerca volvulus		0.0098	0.108	1
Brugia malayi	AKH receptor	0.0098	0.108	0.108
Loa Loa (eye worm)	neuropeptide F receptor	0.0098	0.108	0.108
Brugia malayi	Melatonin receptor type 1A	0.0098	0.108	0.108
Echinococcus granulosus	G protein coupled receptor 139	0.0098	0.108	0.4177
Brugia malayi	follicle stimulating hormone receptor	0.0098	0.108	0.108
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.108	0.4177
Echinococcus granulosus	7TM GPCR rhodopsin	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus multilocularis	fmrfamide receptor	0.0098	0.108	0.4177
Echinococcus multilocularis	neuropeptide Y receptor	0.0098	0.108	0.4177
Schistosoma mansoni	neuropeptide receptor	0.0098	0.108	0.4177
Plasmodium vivax	calpain, putative	0.005	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.108	0.4177
Schistosoma mansoni	opsin-like receptor	0.0098	0.108	0.4177
Onchocerca volvulus		0.0098	0.108	1
Schistosoma mansoni	hypothetical protein	0.0098	0.108	0.4177
Loa Loa (eye worm)	G-protein coupled receptor	0.0098	0.108	0.108
Brugia malayi	Serotonin receptor	0.0098	0.108	0.108
Schistosoma mansoni	growth hormone secretagogue receptor	0.0098	0.108	0.4177
Schistosoma mansoni	amine GPCR	0.0098	0.108	0.4177
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0098	0.108	0.4177
Brugia malayi	hypothetical protein	0.0098	0.108	0.108
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0138	0.1956	0.7568
Loa Loa (eye worm)	hypothetical protein	0.0117	0.1492	0.1492
Brugia malayi	GnHR receptor homolog	0.0098	0.108	0.108
Echinococcus granulosus	tm gpcr rhodopsin	0.0098	0.108	0.4177
Brugia malayi	hypothetical protein	0.0098	0.108	0.108
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1051	0.1051
Echinococcus granulosus	cathepsin b	0.0166	0.2585	1
Echinococcus multilocularis	cathepsin b	0.0166	0.2585	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0098	0.108	0.4177
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.108	0.4177
Onchocerca volvulus		0.0098	0.108	1
Brugia malayi	calpain family protein 1	0.0132	0.1824	0.1824
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus granulosus	neuropeptide s receptor	0.0098	0.108	0.4177
Brugia malayi	hypothetical protein	0.0098	0.108	0.108
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0098	0.108	0.4177
Loa Loa (eye worm)	cathepsin B	0.0055	0.0113	0.0113
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.108	0.4177
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.108	0.4177
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.108	0.4177
Brugia malayi	Dopamine receptor protein 2	0.0098	0.108	0.108
Echinococcus granulosus	calpain A	0.0138	0.1956	0.7568
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.108	0.4177
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0098	0.108	0.4177
Echinococcus multilocularis	fmrfamide receptor	0.0098	0.108	0.4177
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0166	0.2585	1
Echinococcus granulosus	neuropeptide receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0055	0.0113	0.5
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0098	0.108	0.108
Onchocerca volvulus		0.0098	0.108	1
Echinococcus multilocularis	neuropeptide receptor	0.0098	0.108	0.4177
Schistosoma mansoni	neuropeptide receptor	0.0098	0.108	0.4177
Schistosoma mansoni	neuropeptide receptor	0.0098	0.108	0.4177
Echinococcus granulosus	dro:myosuppressin receptor	0.0098	0.108	0.4177
Echinococcus multilocularis	g-protein coupled receptor	0.0098	0.108	0.4177
Echinococcus granulosus	rhodopsin orphan GPCR	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0098	0.108	0.4177
Schistosoma mansoni	adenoreceptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	melatonin receptor type 1A	0.0098	0.108	0.108
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0132	0.1824	0.7055
Onchocerca volvulus		0.0098	0.108	1
Brugia malayi	larval opioid receptor	0.0098	0.108	0.108
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0055	0.0113	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0098	0.108	0.4177
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0166	0.2585	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0098	0.108	0.4177
Echinococcus granulosus	rhodopsin orphan GPCR	0.0098	0.108	0.4177
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0098	0.108	0.4177
Schistosoma mansoni	neuropeptide F-like receptor	0.0098	0.108	0.4177
Onchocerca volvulus		0.0098	0.108	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Brugia malayi	neuropeptide F receptor	0.0098	0.108	0.108
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0055	0.0113	0.0437
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0098	0.108	1
Echinococcus granulosus	g-protein coupled receptor	0.0098	0.108	0.4177
Echinococcus multilocularis	g protein coupled receptor	0.0098	0.108	0.4177
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0138	0.1956	0.7568
Brugia malayi	Dopamine receptor	0.0098	0.108	0.108
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0098	0.108	0.4177
Brugia malayi	hypothetical protein	0.0098	0.108	0.108
Echinococcus granulosus	neuropeptide Y receptor	0.0098	0.108	0.4177
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.108	0.4177
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Brugia malayi	putative neuropeptide receptor NPR1	0.0098	0.108	0.108
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus granulosus	rhodopsin orphan GPCR	0.0098	0.108	0.4177
Echinococcus granulosus	neuropeptides capa receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Brugia malayi	hypothetical protein	0.0098	0.108	0.108
Echinococcus multilocularis	neuropeptides capa receptor	0.0098	0.108	0.4177
Echinococcus multilocularis	neuropeptide receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Giardia lamblia	Cathepsin B precursor	0.0055	0.0113	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.2585	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Onchocerca volvulus		0.0098	0.108	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus multilocularis	g protein coupled receptor	0.0098	0.108	0.4177
Echinococcus granulosus	somatostatin receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1824	0.1824
Echinococcus granulosus	fmrfamide receptor	0.0098	0.108	0.4177
Echinococcus multilocularis	somatostatin receptor	0.0098	0.108	0.4177
Schistosoma mansoni	biogenic amine receptor	0.0098	0.108	0.4177
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0098	0.108	0.4177
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.2585	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus multilocularis	dro:myosuppressin receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus multilocularis	calpain family protein 1, d	0.0097	0.1051	0.4066
Schistosoma mansoni	opsin-like receptor	0.0098	0.108	0.4177
Echinococcus multilocularis	cathepsin b	0.0166	0.2585	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0098	0.108	0.4177
Onchocerca volvulus		0.0098	0.108	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.108	0.4177
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0166	0.2585	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0098	0.108	0.4177
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0098	0.108	0.4177
Brugia malayi	putative neuropeptide receptor	0.0098	0.108	0.108
Schistosoma mansoni	biogenic amine receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0098	0.108	0.108
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0098	0.108	0.4177
Schistosoma mansoni	histamine h1 receptor	0.0098	0.108	0.4177
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0098	0.108	0.4177
Echinococcus granulosus	orexin receptor type 2	0.0098	0.108	0.4177
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.108	0.4177
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0098	0.108	0.4177
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.108	0.4177
Onchocerca volvulus		0.0098	0.108	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0098	0.108	0.108
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0098	0.108	0.108
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0138	0.1956	0.7568
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0098	0.108	0.4177
Schistosoma mansoni	hypothetical protein	0.0098	0.108	0.4177
Echinococcus multilocularis	allatostatin A receptor	0.0098	0.108	0.4177
Echinococcus multilocularis	neuropeptide Y receptor	0.0098	0.108	0.4177
Toxoplasma gondii	cathepsin B	0.0055	0.0113	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.108	0.4177
Brugia malayi	hypothetical protein	0.0098	0.108	0.108
Onchocerca volvulus		0.0098	0.108	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus granulosus	rhodopsin orphan GPCR	0.0098	0.108	0.4177
Brugia malayi	sulfakinin receptor protein	0.0098	0.108	0.108
Schistosoma mansoni	amine GPCR	0.0098	0.108	0.4177
Schistosoma mansoni	neuropeptide f receptor 76f	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus granulosus	g protein coupled receptor	0.0098	0.108	0.4177
Giardia lamblia	Cathepsin B precursor	0.0055	0.0113	0.5
Echinococcus multilocularis	serotonin receptor	0.0098	0.108	0.4177
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0098	0.108	0.4177
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0098	0.108	0.4177
Echinococcus granulosus	g protein coupled receptor	0.0098	0.108	0.4177
Onchocerca volvulus		0.0098	0.108	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus granulosus	rhodopsin orphan GPCR	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Onchocerca volvulus		0.0098	0.108	1
Brugia malayi	hypothetical protein	0.0098	0.108	0.108
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus granulosus	7tm_1 domain containing protein	0.0098	0.108	0.4177
Onchocerca volvulus		0.0098	0.108	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Brugia malayi	G protein-coupled receptor F59B2.13	0.0098	0.108	0.108
Echinococcus multilocularis	sex peptide receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Brugia malayi	neuropeptide F receptor	0.0098	0.108	0.108
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.108	0.4177
Loa Loa (eye worm)	calpain family protein 1	0.0132	0.1824	0.1824
Echinococcus multilocularis	g protein coupled receptor	0.0098	0.108	0.4177
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0098	0.108	0.4177
Brugia malayi	hypothetical protein	0.0098	0.108	0.108
Echinococcus granulosus	tm gpcr rhodopsin	0.0098	0.108	0.4177
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0098	0.108	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Brugia malayi	G protein-coupled receptor	0.0098	0.108	0.108
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0098	0.108	0.4177
Schistosoma mansoni	myosin xvIII	0.0098	0.108	0.4177
Echinococcus granulosus	neuropeptide Y receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0166	0.2585	0.2585
Giardia lamblia	Cathepsin B precursor	0.0055	0.0113	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0499	1	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.108	0.4177
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0098	0.108	0.4177
Echinococcus granulosus	neuropeptide receptor	0.0098	0.108	0.4177
Echinococcus granulosus	neuropeptides capa receptor	0.0098	0.108	0.4177
Brugia malayi	Serotonin receptor	0.0098	0.108	0.108
Echinococcus multilocularis	neuropeptides capa receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0098	0.108	0.108
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0098	0.108	0.4177
Loa Loa (eye worm)	calpain family protein 1	0.0097	0.1051	0.1051

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.12 nM	Compound was evaluated for the inhibition of Cysteine protease Calpain 2	ChEMBL.	8831774
Ki (binding)	= 0.59 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)	= 0.12 uM	Compound was evaluated for the inhibition of Cysteine protease Calpain 2	ChEMBL.	8831774
Ki (binding)	= 0.59 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: CHEMBL133707

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 230190