TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 406.82 | Formula: C18H19ClN4O5
H donors: 2 H acceptors: 3 LogP: 3.28 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(CC(=O)NC(=N)NCc2ccc(cc2)Cl)c(cc1OC)[N+](=O)[O-]
InChi: 1S/C18H19ClN4O5/c1-27-15-7-12(14(23(25)26)9-16(15)28-2)8-17(24)22-18(20)21-10-11-3-5-13(19)6-4-11/h3-7,9H,8,10H2,1-2H3,(H3,20,21,22,24)
InChiKey: XSNYMTFMUGNRCZ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cathepsin D	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium knowlesi	plasmepsin IV, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin I	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium knowlesi	aspartyl protease, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin II	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma japonicum	Cathepsin D precursor, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Neospora caninum	Renin, related	Get druggable targets OG5_126885	All targets in OG5_126885
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Theileria parva	cathepsin E, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Toxoplasma gondii	aspartyl protease ASP1	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	cathepsin D (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium vivax	aspartyl proteinase, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	Get druggable targets OG5_126885	All targets in OG5_126885
Babesia bovis	eukaryotic aspartyl protease family protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	Get druggable targets OG5_126885	All targets in OG5_126885
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	cathepsin D (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	plasmepsin	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Theileria parva	pepsinogen, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Neospora caninum	Pepsinogen A1, related	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium vivax	plasmepsin IV, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma japonicum	ko:K01379 cathepsin D [EC3.4.23.5], putative	Get druggable targets OG5_126885	All targets in OG5_126885
Cryptosporidium parvum	membrane bound aspartyl proteinase with a signal peptide plus transmembrane domain	Get druggable targets OG5_126885	All targets in OG5_126885
Loa Loa (eye worm)	aspartic protease BmAsp-2	Get druggable targets OG5_126885	All targets in OG5_126885
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	Get druggable targets OG5_126885	All targets in OG5_126885
Cryptosporidium hominis	aspartyl protease precursor	Get druggable targets OG5_126885	All targets in OG5_126885

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	plasmepsin X	cathepsin D	412 aa	339 aa	28.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	BEN-1 protein	0.012	0.3134	0.321
Leishmania major	alpha tubulin	0.012	0.3134	1
Echinococcus multilocularis	beta tubulin	0.012	0.3134	0.321
Echinococcus granulosus	tubulin gamma 1 chain	0.012	0.3134	0.3121
Plasmodium vivax	tubulin epsilon chain, putative	0.012	0.3134	1
Schistosoma mansoni	tubulin subunit alpha	0.012	0.3134	0.3121
Echinococcus granulosus	tubulin alpha chain	0.012	0.3134	0.3121
Brugia malayi	Cell division protein ftsZ	0.0052	0.0324	0.0205
Echinococcus multilocularis	Tubulin alpha 1 chain	0.012	0.3134	0.321
Leishmania major	alpha tubulin	0.012	0.3134	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0047	0.0127	0.013
Trichomonas vaginalis	tubulin gamma chain, putative	0.012	0.3134	0.3046
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0614	0.0629
Trypanosoma cruzi	beta tubulin, putative	0.012	0.3134	1
Leishmania major	beta tubulin	0.012	0.3134	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0776	0.0795
Echinococcus multilocularis	Tubulin beta 2C chain	0.012	0.3134	0.321
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0127	0.013
Trichomonas vaginalis	tubulin epsilon chain, putative	0.012	0.3134	0.3046
Trypanosoma brucei	beta tubulin	0.012	0.3134	1
Echinococcus multilocularis	carboxylesterase 5A	0.028	0.9762	1
Schistosoma mansoni	tubulin subunit beta	0.012	0.3134	0.3121
Brugia malayi	Tubulin alpha-2 chain	0.012	0.3134	0.3121
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0052	0.0324	0.0332
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0978	0.1002
Trypanosoma brucei	epsilon tubulin	0.012	0.3134	1
Loa Loa (eye worm)	tubulin beta chain	0.012	0.3134	0.321
Echinococcus granulosus	carboxylesterase 5A	0.028	0.9762	1
Loa Loa (eye worm)	carboxylesterase	0.028	0.9762	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.012	0.3134	0.3046
Loa Loa (eye worm)	tubulin beta-1 chain	0.012	0.3134	0.321
Plasmodium falciparum	tubulin gamma chain	0.012	0.3134	1
Loa Loa (eye worm)	carboxylesterase	0.0047	0.0127	0.013
Echinococcus multilocularis	tubulin gamma 1 chain	0.012	0.3134	0.321
Echinococcus granulosus	tubulin delta chain	0.0052	0.0324	0.0205
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.5378	0.545
Trichomonas vaginalis	tubulin beta chain, putative	0.012	0.3134	0.3046
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.012	0.3134	0.3046
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	1	1
Leishmania major	beta tubulin	0.012	0.3134	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	1	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0063	0.0776	0.0674
Plasmodium falciparum	tubulin epsilon chain, putative	0.012	0.3134	1
Schistosoma mansoni	tubulin subunit alpha	0.012	0.3134	0.3121
Leishmania major	alpha tubulin	0.012	0.3134	1
Echinococcus multilocularis	calpain A	0.0066	0.0909	0.0931
Echinococcus granulosus	tubulin alpha 3 chain	0.012	0.3134	0.3121
Plasmodium falciparum	tubulin beta chain	0.012	0.3134	1
Echinococcus granulosus	acetylcholinesterase	0.028	0.9762	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.2222	0.2276
Loa Loa (eye worm)	tubulin beta-4 chain	0.012	0.3134	0.321
Echinococcus granulosus	tubulin alpha chain	0.012	0.3134	0.3121
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0068	0.0978	0.1002
Leishmania major	epsilon tubulin, putative	0.012	0.3134	1
Onchocerca volvulus		0.0047	0.0127	0.0813
Echinococcus granulosus	tubulin alpha 1C chain	0.012	0.3134	0.3121
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0139	0.3948	1
Echinococcus multilocularis	tubulin alpha	0.012	0.3134	0.321
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0059	0.0614	0.0493
Trichomonas vaginalis	tubulin alpha chain, putative	0.0068	0.0978	0.0862
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.0324	0.02
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.0939	0.0843
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0139	0.3948	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.012	0.3134	0.321
Echinococcus multilocularis	geminin	0.0165	0.5028	0.5151
Trypanosoma brucei	alpha tubulin	0.012	0.3134	1
Echinococcus multilocularis	neuroligin	0.0047	0.0127	0.013
Echinococcus multilocularis	para nitrobenzyl esterase	0.0047	0.0127	0.013
Echinococcus multilocularis	tubulin alpha chain	0.012	0.3134	0.321
Leishmania major	alpha tubulin	0.012	0.3134	1
Brugia malayi	Tubulin gamma chain	0.012	0.3134	0.3121
Plasmodium vivax	tubulin gamma chain, putative	0.012	0.3134	1
Schistosoma mansoni	alpha tubulin	0.012	0.3134	0.3121
Loa Loa (eye worm)	tubulin beta chain	0.0052	0.0324	0.0332
Brugia malayi	Tubulin alpha chain	0.0052	0.0324	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0127	0.013
Echinococcus granulosus	Tubulin beta 2C chain	0.012	0.3134	0.3121
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0052	0.0324	0.0516
Loa Loa (eye worm)	calpain family protein 1	0.0063	0.0776	0.0795
Trichomonas vaginalis	tubulin alpha chain, putative	0.012	0.3134	0.3046
Leishmania major	beta tubulin	0.012	0.3134	1
Trichomonas vaginalis	tubulin beta chain, putative	0.012	0.3134	0.3046
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0127	0.013
Trypanosoma brucei	alpha tubulin	0.012	0.3134	1
Trichomonas vaginalis	tubulin beta chain, putative	0.012	0.3134	0.3046
Echinococcus granulosus	beta tubulin	0.012	0.3134	0.3121
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0066	0.0909	0.0812
Toxoplasma gondii	beta tubulin	0.012	0.3134	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0127	0.013
Plasmodium falciparum	plasmepsin II	0.0059	0.0614	0.103
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0059	0.0614	0.0629
Plasmodium falciparum	alpha tubulin 2	0.012	0.3134	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.012	0.3134	0.3046
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0066	0.0909	0.0812
Loa Loa (eye worm)	beta-tubulin	0.012	0.3134	0.321
Leishmania major	alpha tubulin	0.012	0.3134	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	1	1
Toxoplasma gondii	beta-1 tubulin, putative	0.012	0.3134	1
Plasmodium vivax	plasmepsin IV, putative	0.0059	0.0614	0.103
Leishmania major	alpha tubulin	0.012	0.3134	1
Onchocerca volvulus		0.0047	0.0127	0.0813
Echinococcus multilocularis	acetylcholinesterase	0.028	0.9762	1
Trichomonas vaginalis	tubulin, putative	0.012	0.3134	0.3046
Echinococcus granulosus	Tubulin beta 2C chain	0.012	0.3134	0.3121
Giardia lamblia	Beta tubulin	0.012	0.3134	0.2904
Loa Loa (eye worm)	alpha-tubulin	0.012	0.3134	0.321
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0059	0.0614	0.103
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.5378	0.545
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0066	0.0909	0.0931
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.012	0.3134	0.321
Treponema pallidum	fructose-bisphosphate aldolase	0.0285	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.012	0.3134	0.3121
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.012	0.3134	1
Echinococcus multilocularis	peroxisome assembly protein 26	0.012	0.3134	0.321
Leishmania major	beta tubulin	0.012	0.3134	1
Leishmania major	alpha tubulin	0.012	0.3134	1
Plasmodium falciparum	plasmepsin VI	0.0059	0.0614	0.103
Plasmodium falciparum	alpha tubulin 1	0.012	0.3134	1
Trypanosoma brucei	alpha tubulin	0.012	0.3134	1
Schistosoma mansoni	alpha tubulin	0.012	0.3134	0.3121
Loa Loa (eye worm)	hypothetical protein	0.012	0.3134	0.321
Leishmania major	beta tubulin	0.012	0.3134	1
Leishmania major	beta tubulin	0.012	0.3134	1
Leishmania major	beta tubulin	0.012	0.3134	1
Brugia malayi	Tubulin beta chain	0.0052	0.0324	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0082	0.1563	0.1602
Leishmania major	beta tubulin	0.012	0.3134	1
Loa Loa (eye worm)	tubulin gamma chain	0.012	0.3134	0.321
Echinococcus multilocularis	Tubulin beta 2C chain	0.012	0.3134	0.321
Loa Loa (eye worm)	acetylcholinesterase 1	0.028	0.9762	1
Leishmania major	beta tubulin	0.012	0.3134	1
Schistosoma mansoni	tubulin subunit beta	0.012	0.3134	0.3121
Loa Loa (eye worm)	hypothetical protein	0.028	0.9762	1
Schistosoma mansoni	tubulin subunit gamma	0.012	0.3134	0.3121
Leishmania major	beta tubulin	0.012	0.3134	1
Brugia malayi	alpha-tubulin	0.012	0.3134	0.3121
Trichomonas vaginalis	tubulin beta chain, putative	0.012	0.3134	0.3046
Toxoplasma gondii	beta-tubulin, putative	0.012	0.3134	1
Schistosoma mansoni	hypothetical protein	0.0165	0.5028	0.5087
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0082	0.1563	0.1491
Echinococcus granulosus	alpha tubulin	0.012	0.3134	0.3121
Echinococcus multilocularis	Tubulin alpha 1 chain	0.012	0.3134	0.321
Trichomonas vaginalis	tubulin, putative	0.0052	0.0324	0.02
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	1	1
Echinococcus multilocularis	hypothetical protein	0.012	0.3134	0.321
Echinococcus multilocularis	tubulin epsilon chain	0.012	0.3134	0.321
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	1	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.2222	0.2276
Schistosoma mansoni	tubulin subunit beta	0.012	0.3134	0.3121
Leishmania major	alpha tubulin	0.012	0.3134	1
Trichomonas vaginalis	tubulin, putative	0.0068	0.0978	0.0862
Leishmania major	alpha tubulin	0.012	0.3134	1
Trypanosoma cruzi	alpha tubulin, putative	0.012	0.3134	1
Schistosoma mansoni	hypothetical protein	0.0067	0.0939	0.0843
Schistosoma mansoni	tubulin subunit beta	0.0052	0.0324	0.0205
Mycobacterium ulcerans	cell division protein FtsZ	0.0052	0.0324	0.0516
Brugia malayi	tubulin alpha chain - mouse	0.012	0.3134	0.3121
Leishmania major	beta tubulin	0.012	0.3134	1
Toxoplasma gondii	aspartyl protease ASP1	0.0059	0.0614	0.103
Brugia malayi	Tubulin beta-1 chain	0.012	0.3134	0.3121
Leishmania major	alpha tubulin	0.012	0.3134	1
Leishmania major	alpha tubulin	0.012	0.3134	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.012	0.3134	0.321
Plasmodium falciparum	plasmepsin IV	0.0059	0.0614	0.103
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0082	0.1563	0.1491
Onchocerca volvulus		0.0082	0.1563	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0052	0.0324	0.02
Loa Loa (eye worm)	tubulin beta-2A chain	0.012	0.3134	0.321
Leishmania major	beta tubulin	0.012	0.3134	1
Brugia malayi	Tubulin alpha chain	0.012	0.3134	0.3121
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.2222	0.2174
Giardia lamblia	Beta tubulin	0.012	0.3134	0.2904
Trypanosoma brucei	beta tubulin	0.012	0.3134	1
Plasmodium vivax	tubulin beta chain, putative	0.012	0.3134	1
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0059	0.0614	0.0505
Echinococcus granulosus	tubulin alpha chain	0.012	0.3134	0.3121
Trichomonas vaginalis	tubulin epsilon chain, putative	0.012	0.3134	0.3046
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0139	0.3948	1
Echinococcus multilocularis	acetylcholinesterase	0.028	0.9762	1
Echinococcus granulosus	Tubulin beta 2C chain	0.012	0.3134	0.3121
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.2222	0.2174
Echinococcus multilocularis	Tubulin beta 2C chain	0.012	0.3134	0.321
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0052	0.0324	0.5
Loa Loa (eye worm)	alpha-tubulin	0.012	0.3134	0.321
Trichomonas vaginalis	tubulin alpha chain, putative	0.0068	0.0978	0.0862
Echinococcus multilocularis	tubulin alpha 3 chain	0.012	0.3134	0.321
Trichomonas vaginalis	tubulin, putative	0.0068	0.0978	0.0862
Loa Loa (eye worm)	BEN-1 protein	0.012	0.3134	0.321
Echinococcus granulosus	calpain A	0.0066	0.0909	0.0812
Echinococcus granulosus	tubulin epsilon chain	0.012	0.3134	0.3121
Onchocerca volvulus		0.0047	0.0127	0.0813
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0127	0.013
Schistosoma mansoni	tubulin subunit delta	0.0052	0.0324	0.0205
Schistosoma mansoni	tubulin subunit epsilon	0.012	0.3134	0.3121
Schistosoma mansoni	hypothetical protein	0.0165	0.5028	0.5087
Toxoplasma gondii	alpha tubulin TUBA1	0.012	0.3134	1
Plasmodium falciparum	plasmepsin I	0.0059	0.0614	0.103
Echinococcus multilocularis	tubulin alpha chain	0.012	0.3134	0.321
Toxoplasma gondii	alpha-tubulin I, putative	0.012	0.3134	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.012	0.3134	0.3121
Schistosoma mansoni	alpha tubulin	0.012	0.3134	0.3121
Trichomonas vaginalis	tubulin epsilon chain, putative	0.012	0.3134	0.3046
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0059	0.0614	0.0629
Giardia lamblia	Alpha-tubulin	0.012	0.3134	0.2904
Echinococcus granulosus	tubulin beta 4A class IVa	0.012	0.3134	0.3121
Giardia lamblia	Beta tubulin	0.012	0.3134	0.2904
Echinococcus multilocularis	tubulin alpha chain	0.012	0.3134	0.321
Echinococcus multilocularis	tubulin alpha 3 chain	0.012	0.3134	0.321
Trichomonas vaginalis	tubulin beta chain, putative	0.012	0.3134	0.3046
Schistosoma mansoni	tubulin subunit alpha	0.0052	0.0324	0.0205
Schistosoma mansoni	tubulin subunit beta	0.012	0.3134	0.3121
Trypanosoma brucei	alpha tubulin	0.012	0.3134	1
Echinococcus granulosus	tubulin alpha 3 chain	0.012	0.3134	0.3121
Trypanosoma cruzi	epsilon tubulin, putative	0.012	0.3134	1
Echinococcus multilocularis	tubulin beta 1 chain	0.012	0.3134	0.321
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0939	0.0962
Echinococcus multilocularis	tubulin subunit TubB	0.012	0.3134	0.321
Schistosoma mansoni	tubulin subunit beta	0.012	0.3134	0.3121
Loa Loa (eye worm)	tubulin alpha 2	0.0068	0.0978	0.1002
Trypanosoma brucei	beta tubulin	0.012	0.3134	1
Loa Loa (eye worm)	hypothetical protein	0.028	0.9762	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.012	0.3134	0.3121
Loa Loa (eye worm)	carboxylesterase	0.0047	0.0127	0.013
Brugia malayi	calpain family protein 1	0.0063	0.0776	0.0674
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0068	0.0978	0.0862
Trypanosoma brucei	tubulin gamma chain	0.012	0.3134	1
Trichomonas vaginalis	tubulin beta chain, putative	0.012	0.3134	0.3046
Echinococcus multilocularis	tubulin alpha chain	0.012	0.3134	0.321
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.0324	0.02
Echinococcus granulosus	beta tubulin	0.012	0.3134	0.3121
Echinococcus multilocularis	Tubulin alpha 1 chain	0.012	0.3134	0.321
Trypanosoma brucei	beta tubulin	0.012	0.3134	1
Echinococcus granulosus	geminin	0.0165	0.5028	0.5087
Brugia malayi	beta-tubulin, identical	0.012	0.3134	0.3121
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	1	1
Brugia malayi	Tubulin alpha-2 chain	0.012	0.3134	0.3121
Onchocerca volvulus		0.0068	0.0978	0.6255
Leishmania major	beta tubulin	0.012	0.3134	1
Leishmania major	beta tubulin	0.012	0.3134	1
Echinococcus granulosus	tubulin beta 1 chain	0.012	0.3134	0.3121
Echinococcus granulosus	acetylcholinesterase	0.028	0.9762	1
Echinococcus granulosus	tubulin alpha chain	0.012	0.3134	0.3121
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0066	0.0909	0.0812
Leishmania major	beta tubulin	0.012	0.3134	1
Loa Loa (eye worm)	tubulin alpha chain	0.012	0.3134	0.321
Onchocerca volvulus		0.0047	0.0127	0.0813
Loa Loa (eye worm)	tubulin alpha 2	0.0068	0.0978	0.1002
Trypanosoma cruzi	epsilon tubulin, putative	0.012	0.3134	1
Trypanosoma brucei	epsilon tubulin	0.012	0.3134	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0068	0.0978	0.0862
Echinococcus granulosus	L aminoadipate semialdehyde	0.0082	0.1563	0.1491
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0285	1	1
Schistosoma mansoni	tubulin subunit alpha	0.012	0.3134	0.3121
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0068	0.0978	0.0862
Echinococcus granulosus	tubulin subunit beta	0.012	0.3134	0.3121
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0047	0.0127	0.013
Leishmania major	beta tubulin	0.012	0.3134	1
Echinococcus multilocularis	tubulin delta chain	0.0052	0.0324	0.0332
Echinococcus multilocularis	tubulin subunit beta	0.012	0.3134	0.321
Leishmania major	gamma-tubulin	0.012	0.3134	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0285	1	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0127	0.013
Trypanosoma brucei	beta tubulin	0.012	0.3134	1
Echinococcus granulosus	tubulin alpha chain	0.012	0.3134	0.3121
Echinococcus granulosus	peroxisome assembly protein 26	0.012	0.3134	0.3121
Leishmania major	beta tubulin	0.012	0.3134	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.028	0.9762	1
Leishmania major	beta tubulin	0.012	0.3134	1
Brugia malayi	calpain family protein 1	0.0063	0.0776	0.0674
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0052	0.0324	0.02
Loa Loa (eye worm)	tubulin alpha chain	0.012	0.3134	0.321
Trichomonas vaginalis	tubulin gamma chain, putative	0.012	0.3134	0.3046
Plasmodium vivax	tubulin alpha chain, putative	0.012	0.3134	1
Echinococcus granulosus	Tubulin beta 2C chain	0.012	0.3134	0.3121
Echinococcus granulosus	Tubulin alpha 1 chain	0.012	0.3134	0.3121
Trichomonas vaginalis	tubulin alpha chain, putative	0.0068	0.0978	0.0862
Echinococcus multilocularis	Tubulin beta 2C chain	0.012	0.3134	0.321
Plasmodium vivax	aspartyl proteinase, putative	0.0059	0.0614	0.103
Leishmania major	alpha tubulin	0.012	0.3134	1
Echinococcus multilocularis	beta tubulin	0.012	0.3134	0.321
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0059	0.0614	0.0505
Giardia lamblia	Fructose-bisphosphate aldolase	0.0285	1	1
Giardia lamblia	Alpha-tubulin	0.012	0.3134	0.2904
Trichomonas vaginalis	tubulin beta-1 chain, putative	0.0052	0.0324	0.02
Giardia lamblia	Gamma tubulin	0.012	0.3134	0.2904
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0324	0.0332
Plasmodium vivax	tubulin alpha chain, putative	0.012	0.3134	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.012	0.3134	0.321
Brugia malayi	Carboxylesterase family protein	0.028	0.9762	1
Brugia malayi	Carboxylesterase family protein	0.028	0.9762	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.012	0.3134	0.321
Trypanosoma cruzi	tubulin gamma chain	0.012	0.3134	1
Echinococcus granulosus	tubulin alpha 1C chain	0.012	0.3134	0.3121
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0776	0.0795
Schistosoma mansoni	tubulin subunit beta	0.012	0.3134	0.3121
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0127	0.013
Trypanosoma brucei	epsilon tubulin	0.012	0.3134	1
Echinococcus multilocularis	tubulin alpha chain	0.012	0.3134	0.321
Trichomonas vaginalis	tubulin gamma chain, putative	0.0052	0.0324	0.02
Brugia malayi	tubulin alpha-2 chain	0.012	0.3134	0.3121
Trichomonas vaginalis	tubulin alpha chain, putative	0.012	0.3134	0.3046
Trypanosoma brucei	alpha tubulin, putative	0.0068	0.0978	0.2326
Onchocerca volvulus		0.0047	0.0127	0.0813
Trichomonas vaginalis	tubulin beta chain, putative	0.012	0.3134	0.3046
Echinococcus granulosus	tubulin subunit TubB	0.012	0.3134	0.3121
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0082	0.1563	0.1602
Echinococcus granulosus	tubulin alpha	0.012	0.3134	0.3121
Brugia malayi	Tubulin beta chain	0.0068	0.0978	0.0883

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.5 uM	Inhibition of human liver cathepsin D using MCA-labeled GKPILFFRLK(Dnp)-D-R-NH2 peptide by fluorescence-based assay	ChEMBL.	25086681
IC50 (binding)	> 30 uM	Inhibition of human recombinant renin using quenched Dabcyl-g-Abu-IHPFHLVIHT-Edans peptide substrate by fluorescence-based assay	ChEMBL.	25086681
Inhibition (binding)		Inhibition of cathepsin D in bovine cartilage explants assessed as reduction in sulphated GAGs level at <1 uM after 3 days by spectrophotometric 1,9-dimethylmethylene blue shift assay based glycosaminoglycan release method	ChEMBL.	25086681

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: CHEMBL3321914

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 922954