TDR Targets

Basic information

Technical information

TDR Targets ID: 110952
Name: (5Z)-5-[[4-[(4-benzoyl-3-hydroxy-2-propylphen oxy)methyl]phenyl]methylidene]-2-sulfanyliden e-1,3-thiazolidin-4-one
MW: 489.606 | Formula: C27H23NO4S2
H donors: 2 H acceptors: 3 LogP: 7.14 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCc1c(OCc2ccc(cc2)/C=C/2\SC(=S)NC2=O)ccc(c1O)C(=O)c1ccccc1
InChi: 1S/C27H23NO4S2/c1-2-6-20-22(14-13-21(25(20)30)24(29)19-7-4-3-5-8-19)32-16-18-11-9-17(10-12-18)15-23-26(31)28-27(33)34-23/h3-5,7-15,30H,2,6,16H2,1H3,(H,28,31,33)/b23-15-
InChiKey: XEODKJBBFMCWBV-HAHDFKILSA-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

(5Z)-5-[[4-[(4-benzoyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]methylene]-2-thioxo-thiazolidin-4-one
(5Z)-5-[[4-[(4-benzoyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]methylene]-2-thioxo-4-thiazolidinone
(5Z)-5-[[4-[[3-hydroxy-4-(phenylcarbonyl)-2-propyl-phenoxy]methyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
(5Z)-5-[4-[(4-benzoyl-3-hydroxy-2-propyl-phenoxy)methyl]benzylidene]-2-thioxo-thiazolidin-4-one
(5Z)-5-[[4-[[4-(benzoyl)-3-hydroxy-2-propylphenoxy]methyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
(5Z)-5-[[4-[[4-(benzoyl)-3-hydroxy-2-propyl-phenoxy]methyl]phenyl]methylene]-2-thioxo-thiazolidin-4-one
(5Z)-5-[[4-[[3-hydroxy-4-(oxo-phenylmethyl)-2-propylphenoxy]methyl]phenyl]methylene]-2-thioxo-4-thiazolidinone
(5Z)-5-[4-[[4-(benzoyl)-3-hydroxy-2-propyl-phenoxy]methyl]benzylidene]-2-thioxo-thiazolidin-4-one
(5Z)-5-[[4-[(3-hydroxy-4-phenylcarbonyl-2-propyl-phenoxy)methyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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
Schistosoma japonicum	Cathepsin D precursor, putative	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
Plasmodium falciparum	plasmepsin I	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
Plasmodium berghei	plasmepsin IV	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
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	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
Loa Loa (eye worm)	hypothetical protein	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
Theileria parva	cathepsin E, putative	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	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin II	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium knowlesi	plasmepsin IV, putative	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 berghei	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin VI	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
Loa Loa (eye worm)	aspartic protease BmAsp-2	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	plasmepsin	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
Neospora caninum	Renin, related	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
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	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
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	Get druggable targets OG5_126885	All targets in OG5_126885
Theileria parva	pepsinogen, putative	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 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
Toxoplasma gondii	aspartyl protease ASP1	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

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
Mycobacterium ulcerans	acyl-CoA synthetase	0.0019	0.0101	0.014
Brugia malayi	regulator of G-protein signaling egl-10	0.0019	0.0097	0.0179
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0019	0.0097	0.0179
Entamoeba histolytica	eukaryotic translation initiation factor 4E, putative	0.0194	0.2869	1
Plasmodium falciparum	plasmepsin III	0.0014	0.0024	0.0121
Schistosoma mansoni	bromodomain containing protein	0.005	0.0599	0.1108
Schistosoma mansoni	eukaryotic translation initiation factor 4e	0.0194	0.2869	0.5308
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0059	0.0737	0.1363
Echinococcus granulosus	Regulator of G protein signaling 20	0.0019	0.0097	0.0175
Echinococcus multilocularis	regulator of G protein signaling 3	0.0019	0.0097	0.0097
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0024	0.0044
Entamoeba histolytica	eukaryotic translation initiation factor 4E, putative	0.0023	0.0168	0.0258
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0047	0.0554	0.1002
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0019	0.0101	0.014
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0097	0.0097
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0024	0.0044
Echinococcus multilocularis	regulator of G protein signaling 3	0.0019	0.0097	0.0097
Echinococcus granulosus	eukaryotic translation initiation factor 4E type	0.0023	0.0168	0.0305
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0014	0.0024	0.0024
Brugia malayi	hypothetical protein	0.0014	0.0024	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0026	0.0047
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0019	0.0097	0.0097
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0168	0.0258
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0194	0.2869	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0029	0.0255	0.0461
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0168	0.0258
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0135	0.1944	1
Giardia lamblia	hypothetical protein	0.0023	0.0168	0.5
Echinococcus multilocularis	regulator of G protein signaling	0.0019	0.0097	0.0097
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0047	0.0542	0.0542
Brugia malayi	Dihydrofolate reductase	0.0354	0.5404	1
Brugia malayi	Eukaryotic translation initiation factor 4E type 3, putative	0.0023	0.0168	0.0311
Toxoplasma gondii	aspartyl protease ASP3	0.0014	0.0024	0.0082
Echinococcus granulosus	lysine specific demethylase 5A	0.0048	0.0566	0.1025
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0014	0.0017	0.0032
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0097	0.0179
Plasmodium falciparum	plasmepsin IV	0.0059	0.0737	0.3789
Loa Loa (eye worm)	translation initiation factor 4E	0.0194	0.2869	0.5308
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0024	0.0044
Leishmania major	eukaryotic translation initiation factor-like protein	0.0194	0.2869	1
Echinococcus multilocularis	axis inhibition protein axin	0.0019	0.0097	0.0097
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0734	0.1336
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0024	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0026	0.0047
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0019	0.0097	0.0179
Brugia malayi	aspartic protease BmAsp-1, identical	0.0014	0.0024	0.0044
Brugia malayi	Probable ClpP-like protease	0.0062	0.0786	0.1455
Mycobacterium ulcerans	hypothetical protein	0.0019	0.0101	0.014
Plasmodium vivax	aspartyl proteinase, putative	0.0014	0.0024	0.0121
Plasmodium falciparum	plasmepsin VIII, putative	0.0014	0.0024	0.0121
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0062	0.0786	0.0786
Trypanosoma brucei	Eukaryotic translation initiation factor 4E-2	0.0023	0.0168	0.0587
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0059	0.0737	0.1333
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0135	0.1944	1
Brugia malayi	jmjC domain containing protein	0.0047	0.0542	0.1004
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0734	0.2558
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0135	0.1944	0.6778
Loa Loa (eye worm)	PXA domain-containing protein	0.0019	0.0097	0.0179
Plasmodium vivax	aspartyl protease, putative	0.0014	0.0024	0.0121
Plasmodium vivax	plasmepsin V, putative	0.0014	0.0024	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0229	0.3428	0.6344
Trypanosoma brucei	Eukaryotic translation initiation factor 4E type 5	0.0023	0.0168	0.0587
Mycobacterium ulcerans	acyl-CoA synthetase	0.0019	0.0101	0.014
Plasmodium vivax	acyl-CoA synthetase, putative	0.0014	0.0026	0.0131
Brugia malayi	Bromodomain containing protein	0.006	0.0746	0.138
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0062	0.0786	0.1414
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0041	0.0447	0.0805
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0354	0.5404	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0029	0.0255	0.0255
Entamoeba histolytica	hypothetical protein	0.0023	0.0168	0.0258
Chlamydia trachomatis	dihydrofolate reductase	0.0354	0.5404	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0062	0.0786	0.1414
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0021	0.0142	0.0728
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0097	0.0179
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0047	0.0542	0.0982
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0024	0.0044
Toxoplasma gondii	aspartyl protease ASP1	0.0059	0.0737	0.2569
Leishmania major	eukaryotic translation initiation factor, putative	0.0023	0.0168	0.0587
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0194	0.2869	1
Plasmodium vivax	aspartyl protease, putative	0.0014	0.0024	0.0121
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0097	0.0179
Echinococcus multilocularis	zinc finger protein	0.0016	0.0049	0.0049
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0014	0.0017	0.0017
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0135	0.1944	0.6778
Leishmania major	hypothetical protein, conserved	0.0023	0.0168	0.0587
Schistosoma mansoni	memapsin-2 (A01 family)	0.0014	0.0024	0.0044
Echinococcus granulosus	dihydrofolate reductase	0.0354	0.5404	0.978
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0021	0.0142	0.0077
Plasmodium vivax	translation initiation factor 4E, putative	0.0023	0.0168	0.0865
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0059	0.0737	0.1363
Echinococcus granulosus	peptidase Clp S14 family	0.0041	0.0447	0.081
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0692	0.1281
Echinococcus multilocularis	lysine specific demethylase 5A	0.0047	0.0542	0.0542
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E-3	0.0023	0.0168	0.0587
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0097	0.0175
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0101	0.014
Entamoeba histolytica	acyl-coA synthetase, putative	0.0019	0.0101	0.0015
Brugia malayi	eukaryotic translation initiation factor 4E-1	0.0023	0.0168	0.0311
Plasmodium falciparum	plasmepsin V	0.0014	0.0024	0.0121
Echinococcus granulosus	axis inhibition protein axin	0.0019	0.0097	0.0175
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0019	0.0097	0.0175
Brugia malayi	Bromodomain containing protein	0.003	0.0284	0.0526
Echinococcus multilocularis	dihydrofolate reductase	0.0354	0.5404	0.5404
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0542	0.1003
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0059	0.0737	0.2309
Loa Loa (eye worm)	bromodomain containing protein	0.0014	0.0025	0.0046
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0019	0.0097	0.0179
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0041	0.0447	0.0447
Trypanosoma cruzi	eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative	0.0023	0.0168	0.0587
Brugia malayi	AMP-binding enzyme family protein	0.0019	0.0101	0.0187
Trichomonas vaginalis	eukaryotic translation initiation factor 4E type, putative	0.0023	0.0168	0.0258
Schistosoma mansoni	peptidase Clp (S14 family)	0.0062	0.0786	0.1455
Giardia lamblia	Hypothetical protein	0.0023	0.0168	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0026	0.0047
Schistosoma mansoni	axis inhibition protein axin	0.0019	0.0097	0.0179
Leishmania major	hypothetical protein, conserved	0.0023	0.0168	0.0587
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0014	0.0024	0.0044
Leishmania major	4-coumarate:coa ligase-like protein	0.0019	0.0101	0.0352
Brugia malayi	hypothetical protein	0.0019	0.0097	0.0179
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0032
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0048	0.0566	0.1048
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0026	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0737	0.1363
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E-1	0.0194	0.2869	1
Echinococcus granulosus	regulator of G protein signaling 3	0.0019	0.0097	0.0175
Trichomonas vaginalis	hypothetical protein	0.0023	0.0168	0.0258
Echinococcus multilocularis	survival motor neuron protein 1	0.0229	0.3428	0.3428
Plasmodium falciparum	plasmepsin II	0.0059	0.0737	0.3789
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0101	0.0187
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0135	0.1944	0.6778
Schistosoma mansoni	jumonji domain containing protein	0.0047	0.0542	0.1004
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0194	0.2869	1
Echinococcus granulosus	eukaryotic translation initiation factor 4E	0.0194	0.2869	0.5191
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0024	0.0044
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.2557	0.4731
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0021	0.0142	0.0728
Echinococcus multilocularis	expressed protein	0.0361	0.5526	0.5526
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0023	0.0168	0.0258
Leishmania major	4-coumarate:coa ligase-like protein	0.0019	0.0101	0.0352
Brugia malayi	hypothetical protein	0.0014	0.0024	0.0044
Brugia malayi	aspartic protease BmAsp-2, identical	0.0014	0.0024	0.0044
Trypanosoma brucei	Eukaryotic translation initiation factor 4E-4	0.0023	0.0168	0.0587
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0097	0.0179
Schistosoma mansoni	cell polarity protein	0.0135	0.194	0.359
Entamoeba histolytica	eukaryotic initiation factor 4E, putative	0.0023	0.0168	0.0258
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0062	0.0786	0.5
Entamoeba histolytica	eukaryotic translation initiation factor 4E, putative	0.0194	0.2869	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0019	0.0101	0.014
Leishmania major	eukaryotic translation initiation factor eIF-4E, putative	0.0194	0.2869	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0734	0.2558
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0062	0.0786	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0734	0.1317
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0023	0.0168	0.0258
Trichomonas vaginalis	eukaryotic translation initiation factor 4E type, putative	0.0023	0.0168	0.0258
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0734	0.0734
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0194	0.2869	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0097	0.0179
Brugia malayi	AMP-binding enzyme family protein	0.0019	0.0101	0.0187
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0019	0.0101	0.014
Trichomonas vaginalis	conserved hypothetical protein	0.0023	0.0168	0.0258
Schistosoma mansoni	dihydrofolate reductase	0.0354	0.5404	1
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0354	0.5404	1
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0023	0.0168	0.0258
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0023	0.0168	0.0258
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0062	0.0786	0.4043
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0014	0.0024	0.0043
Brugia malayi	jmjC domain containing protein	0.0048	0.0566	0.1048
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E type 5, putative	0.0023	0.0168	0.0587
Brugia malayi	hypothetical protein	0.0019	0.0097	0.0179
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0135	0.1944	0.6778
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0019	0.0097	0.0179
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0062	0.0786	0.2741
Trypanosoma cruzi	eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative	0.0023	0.0168	0.0587
Leishmania major	eukaryotic translation initiation factor-like	0.0194	0.2869	1
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E-4	0.0023	0.0168	0.0587
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E-4	0.0023	0.0168	0.0587
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0315	0.0583
Plasmodium vivax	hypothetical protein, conserved	0.0023	0.0168	0.0865
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0734	0.1358
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0041	0.0447	0.0653
Toxoplasma gondii	hypothetical protein	0.0023	0.0168	0.0587
Schistosoma mansoni	hypothetical protein	0.0047	0.0542	0.1003
Echinococcus granulosus	zinc finger protein	0.0016	0.0049	0.0089
Onchocerca volvulus	Putative eukaryotic translation initiation factor 4e	0.0023	0.0168	0.2789
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0019	0.0101	0.0015
Loa Loa (eye worm)	eukaryotic translation initiation factor 4E-1	0.0023	0.0168	0.0311
Plasmodium vivax	aspartyl proteinase, putative	0.0059	0.0737	0.3789
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0019	0.0097	0.0175
Brugia malayi	PXA domain containing protein	0.0019	0.0097	0.0179
Plasmodium falciparum	plasmepsin VI	0.0059	0.0737	0.3789
Brugia malayi	regulator of G-protein signaling rgs-7	0.0019	0.0097	0.0179
Echinococcus granulosus	survival motor neuron protein 1	0.0229	0.3428	0.6204
Echinococcus multilocularis	regulator of G protein signaling 7	0.0019	0.0097	0.0097
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0014	0.0017	0.0032
Echinococcus multilocularis	ras gtpase	0.0135	0.194	0.194
Leishmania major	eukaryotic translation initiation factor 4e, putative	0.0023	0.0168	0.0587
Echinococcus multilocularis	axis inhibition protein axin	0.0019	0.0097	0.0097
Plasmodium vivax	plasmepsin IV, putative	0.0059	0.0737	0.3789
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0101	0.0187
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0062	0.0786	0.1292
Plasmodium falciparum	plasmepsin IX	0.0014	0.0024	0.0121
Brugia malayi	PXA domain containing protein	0.0019	0.0097	0.0179
Echinococcus granulosus	regulator of G protein signaling 7	0.0019	0.0097	0.0175
Brugia malayi	hypothetical protein	0.0229	0.3428	0.6344
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0542	0.1003
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0097	0.0179
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0734	0.1358
Echinococcus granulosus	fetal alzheimer antigen falz	0.0018	0.0086	0.0156
Echinococcus multilocularis	eukaryotic translation initiation factor 4E	0.0194	0.2869	0.2869
Plasmodium falciparum	plasmepsin I	0.0059	0.0737	0.3789
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0014	0.0017	0.0032
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0018	0.0086	0.016
Onchocerca volvulus		0.0047	0.0542	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.2557	0.4731
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0019	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0097	0.0179
Echinococcus granulosus	ras gtpase	0.0135	0.194	0.3511
Entamoeba histolytica	eukaryotic translation initiation factor 4E, putative	0.0023	0.0168	0.0258
Giardia lamblia	Translation elongation factor	0.0023	0.0168	0.5
Plasmodium falciparum	eukaryotic translation initiation factor 4E	0.0023	0.0168	0.0865
Loa Loa (eye worm)	aspartyl protease 6	0.0014	0.0024	0.0044
Plasmodium falciparum	eukaryotic translation initiation factor 4E, putative	0.0023	0.0168	0.0865
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0354	0.5404	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0734	0.1317
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0014	0.0024	0.0082
Plasmodium falciparum	acyl-CoA synthetase	0.0014	0.0026	0.0131
Brugia malayi	AMP-binding enzyme family protein	0.0019	0.0101	0.0187
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0014	0.0026	0.0023
Echinococcus granulosus	axis inhibition protein axin	0.0019	0.0097	0.0175
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0059	0.0737	0.2569
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0019	0.0097	0.0179
Trichomonas vaginalis	eukaryotic translation initiation factor 4E type, putative	0.0023	0.0168	0.0258
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0014	0.0017	0.0032
Brugia malayi	GTP-binding protein, identical	0.0135	0.194	0.359
Toxoplasma gondii	hypothetical protein	0.0021	0.0142	0.0494
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0024	0.0044
Brugia malayi	PHD-finger family protein	0.002	0.0116	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0097	0.0179
Schistosoma mansoni	zinc finger protein	0.0016	0.0049	0.0091
Loa Loa (eye worm)	jmjC domain-containing protein	0.0048	0.0566	0.1048
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0019	0.0097	0.0179
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E-1	0.0194	0.2869	1
Toxoplasma gondii	eukaryotic initiation factor-4E, putative	0.0194	0.2869	1
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0097	0.0179
Loa Loa (eye worm)	RGS-3 protein	0.0019	0.0097	0.0179
Plasmodium falciparum	plasmepsin VII	0.0014	0.0024	0.0121
Mycobacterium ulcerans	acyl-CoA synthetase	0.0019	0.0101	0.014
Brugia malayi	dihydrofolate reductase family protein	0.0354	0.5404	1
Plasmodium vivax	aspartyl protease, putative	0.0014	0.0024	0.0121
Brugia malayi	A-kinase anchor protein 10, precursor	0.0019	0.0097	0.0179
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0023	0.0168	0.0258
Loa Loa (eye worm)	eukaryotic translation initiation factor 4E type 3	0.0023	0.0168	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0024	0.0044
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0019	0.0097	0.0097
Brugia malayi	translation initiation factor 4E	0.0194	0.2869	0.5308
Echinococcus granulosus	regulator of G protein signaling 3	0.0019	0.0097	0.0175
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0023	0.0168	0.0258
Plasmodium falciparum	plasmepsin X	0.0014	0.0024	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0026	0.0047
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0097	0.0179
Trichomonas vaginalis	eukaryotic translation initiation factor 4E type, putative	0.0023	0.0168	0.0258
Entamoeba histolytica	eukaryotic translation initiation factor 4E, putative	0.0023	0.0168	0.0258
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0734	0.1328
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0047	0.0554	0.0554
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0019	0.0097	0.0179
Toxoplasma gondii	eukaryotic initiation factor-4E, putative	0.0023	0.0168	0.0587
Echinococcus granulosus	histone lysine methyltransferase setb	0.0014	0.0017	0.0031
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0024	0.0044
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0018	0.0086	0.0086
Trypanosoma brucei	Eukaryotic translation initiation factor 4E-1	0.0194	0.2869	1
Entamoeba histolytica	translation initiation factor 4e, putative	0.0023	0.0168	0.0258
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0059	0.0737	0.0737
Giardia lamblia	Hypothetical protein	0.0023	0.0168	0.5
Brugia malayi	Pepsin A precursor	0.0014	0.0024	0.0044
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0062	0.0786	0.4043
Echinococcus granulosus	expressed protein	0.0361	0.5526	1
Schistosoma mansoni	axis inhibition protein axin	0.0019	0.0097	0.0179
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0014	0.0017	0.0017
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0048	0.0566	0.1048
Loa Loa (eye worm)	dihydrofolate reductase	0.0354	0.5404	1
Brugia malayi	GTP-binding protein	0.0135	0.194	0.359
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0062	0.0786	0.1414
Onchocerca volvulus		0.0019	0.0101	0.1491
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0014	0.0017	0.0031
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0019	0.0097	0.0179
Schistosoma mansoni	regulator of G protein signaling	0.0019	0.0097	0.0179
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0062	0.0786	0.1423
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0014	0.0024	0.0044
Entamoeba histolytica	hypothetical protein	0.0023	0.0168	0.0258
Trypanosoma cruzi	Eukaryotic translation initiation factor 4E type 5, putative	0.0023	0.0168	0.0587
Leishmania major	4-coumarate:coa ligase-like protein	0.0019	0.0101	0.0352
Toxoplasma gondii	aspartyl protease	0.0014	0.0024	0.0082
Loa Loa (eye worm)	hypothetical protein	0.003	0.0285	0.0528
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0023	0.0168	0.0258
Trypanosoma brucei	Eukaryotic translation initiation factor 4E-3	0.0023	0.0168	0.0587
Entamoeba histolytica	eukaryotic initiation factor 4E, putative	0.0023	0.0168	0.0258
Loa Loa (eye worm)	PHD-finger family protein	0.0016	0.0062	0.0115
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0041	0.0447	0.0805
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0019	0.0101	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0786	0.1455
Trichomonas vaginalis	eukaryotic translation initiation factor 4E type, putative	0.0023	0.0168	0.0258
Trichomonas vaginalis	eukaryotic translation initiation factor 4E, putative	0.0023	0.0168	0.0258
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0062	0.0786	0.1414
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0019	0.0101	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0101	0.0187
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0062	0.0786	0.2741
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0097	0.0179
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0101	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0097	0.0179
Schistosoma mansoni	hypothetical protein	0.0016	0.0062	0.0115
Loa Loa (eye worm)	GTP-binding protein	0.0135	0.194	0.359
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0097	0.0179
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0019	0.0097	0.0179
Schistosoma mansoni	z-protein (S1r protein)	0.0019	0.0097	0.0179
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0734	0.1317
Schistosoma mansoni	cell polarity protein	0.0135	0.194	0.359
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0339	0.0627
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0014	0.0024	0.0044

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 210 nM	Inhibition of cathepsin D (unknown origin)	ChEMBL.	25086681
IC50 (binding)	= 340 nM	Inhibitory activity against human liver Cathepsin D using Cathepsin D assay.	ChEMBL.	10498202
IC50 (binding)	= 340 nM	Inhibitory activity against human liver Cathepsin D using Cathepsin D assay.	ChEMBL.	10498202
IC50 (binding)	= 0.34 uM	In vitro inhibition of cathepsin D.	ChEMBL.	No reference
IC50 (binding)	= 0.34 uM	In vitro inhibition of cathepsin D.	ChEMBL.	No reference
IC50 (binding)	= 1.3 uM	Compound was evaluated for the inhibition of cathepsin D at an enzyme level of 50 ng/mL	ChEMBL.	No reference
IC50 (binding)	= 1.3 uM	Compound was evaluated for the inhibition of cathepsin D at an enzyme level of 50 ng/mL	ChEMBL.	No reference
Inhibition (binding)	= 0 %	Compound was evaluated for the inhibition of leucine amino peptidase at an enzyme level of 50 ng/mL	ChEMBL.	No reference
Inhibition (binding)	= 0 %	Compound was evaluated for the inhibition of leucine amino peptidase at an enzyme level of 50 ng/mL	ChEMBL.	No reference
Inhibition (functional)	= 4 %	Compound was evaluated for the inhibition of quenching of fluorescence before the release of 7-amido-4-methylcourmarin (AMC) at an enzyme level of 50 ng/mL	ChEMBL.	No reference
Inhibition (functional)	= 11 %	Evaluated for the inhibition of fluorescence quenching before the release of 7-amido-4-methylcourmarin (AMC).	ChEMBL.	No reference
Inhibition (binding)	= 29 %	Compound was evaluated for the inhibition of leucine amino peptidase.	ChEMBL.	No reference
Inhibition (binding)	= 29 %	Compound was evaluated for the inhibition of leucine amino peptidase.	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.

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: CHEMBL68595
PubChem: 9983009

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 110952