TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 667.708 | Formula: C29H45N7O11
H donors: 8 H acceptors: 11 LogP: -4.4 Rotable bonds: 26
Rule of 5 violations (Lipinski): 4
SMILES: O=C([C@@H](NC(=O)[C@H](CCCN(C(=O)C)O)N)CCCN(C(=O)C)O)N[C@H](C(=O)N[C@H](c1ccccc1)C(=O)O)CCCN(C(=O)C)O
InChi: 1S/C29H45N7O11/c1-18(37)34(45)15-7-12-22(30)26(40)31-23(13-8-16-35(46)19(2)38)27(41)32-24(14-9-17-36(47)20(3)39)28(42)33-25(29(43)44)21-10-5-4-6-11-21/h4-6,10-11,22-25,45-47H,7-9,12-17,30H2,1-3H3,(H,31,40)(H,32,41)(H,33,42)(H,43,44)/t22-,23-,24-,25+/m0/s1
InChiKey: RUTPJXLGNOERFD-OJJQZRKESA-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
Trypanosoma cruzi	trypanothione reductase, putative	Curated by TDR Targets	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium falciparum	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium berghei	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	Thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma congolense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Theileria parva	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Babesia bovis	thiodoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	Glutathione reductase, related	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania donovani	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma cruzi	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania major	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Cryptosporidium hominis	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus granulosus	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei gambiense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania infantum	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania mexicana	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Cryptosporidium parvum	thioredoxin reductase 1	Get druggable targets OG5_126785	All targets in OG5_126785
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	Get druggable targets OG5_126785	All targets in OG5_126785
Toxoplasma gondii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	MGC84926 protein, related	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania braziliensis	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium berghei	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	trypanothione reductase, putative	492 aa	548 aa	21.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0889	0.4057
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0199	0.1439	0.6732
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0083	0.0475	0.0475
Plasmodium falciparum	thioredoxin reductase	0.0076	0.0415	0.1266
Plasmodium vivax	aspartyl proteinase, putative	0.0083	0.0475	0.1451
Trypanosoma brucei	protein phosphatase 2B, putative	0.0084	0.048	0.2371
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0889	0.4057
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0889	0.4057
Echinococcus granulosus	calpain A	0.0055	0.024	0.1188
Onchocerca volvulus		0.0083	0.0475	0.5041
Echinococcus multilocularis	sterol regulatory element binding protein	0.0111	0.0703	0.3477
Onchocerca volvulus		0.0037	0.0092	0.0454
Trypanosoma brucei	N-myristoyl transferase, putative	0.0193	0.1388	0.6862
Brugia malayi	hypothetical protein	0.0083	0.0475	0.225
Onchocerca volvulus		0.0133	0.0889	1
Trypanosoma brucei	trypanothione reductase	0.0076	0.0415	0.205
Trichomonas vaginalis	conserved hypothetical protein	0.0111	0.0703	0.3332
Plasmodium falciparum	glycylpeptide N-tetradecanoyltransferase	0.0193	0.1388	0.424
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0083	0.0475	0.1451
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.0269	0.2023	0.9583
Chlamydia trachomatis	outer membrane protein PmpF	0.0219	0.1604	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0092	0.0437
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0076	0.0415	0.2338
Loa Loa (eye worm)	hypothetical protein	0.0047	0.017	0.0565
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0111	0.0703	0.3156
Trichomonas vaginalis	N-myristoyl transferase, putative	0.0127	0.0837	0.3963
Onchocerca volvulus		0.0037	0.0092	0.0454
Plasmodium falciparum	plasmepsin IX	0.0419	0.3274	1
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.0269	0.2023	0.2023
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0092	0.0184
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0092	0.052
Brugia malayi	Animal haem peroxidase family protein	0.0133	0.0889	0.421
Echinococcus granulosus	thioredoxin glutathione reductase	0.0076	0.0415	0.205
Echinococcus multilocularis	glycylpeptide N tetradecanoyltransferase	0.0193	0.1388	0.6862
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0092	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0475	0.2045
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0092	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0475	0.2045
Echinococcus granulosus	Niemann Pick C1 protein	0.0111	0.0703	0.3477
Plasmodium vivax	aspartyl protease, putative	0.0083	0.0475	0.1451
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0199	0.1439	0.6816
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0092	0.0437
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0092	0.0437
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0092	0.0437
Onchocerca volvulus	Dual oxidase homolog	0.0133	0.0889	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0092	0.0184
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0092	0.052
Trypanosoma brucei	N-myristoyltransferase	0.0193	0.1388	0.6862
Brugia malayi	hypothetical protein	0.0133	0.0889	0.421
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0092	0.052
Echinococcus granulosus	glycylpeptide N tetradecanoyltransferase	0.0193	0.1388	0.6862
Plasmodium vivax	aspartyl proteinase, putative	0.0199	0.1439	0.4395
Onchocerca volvulus		0.0133	0.0889	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.022	0.0807
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0083	0.0475	0.2045
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0083	0.0475	0.0475
Loa Loa (eye worm)	animal heme peroxidase	0.0133	0.0889	0.4057
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0083	0.0475	0.225
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0126	0.0832	0.3943
Onchocerca volvulus	Chorion peroxidase homolog	0.0133	0.0889	1
Echinococcus multilocularis	calpain A	0.0055	0.024	0.1188
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0092	0.052
Echinococcus multilocularis	Niemann Pick C1 protein	0.0111	0.0703	0.3477
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0092	0.0437
Echinococcus multilocularis	serine:threonine protein phosphatase 2B	0.0084	0.048	0.2371
Plasmodium falciparum	plasmepsin VII	0.0083	0.0475	0.1451
Brugia malayi	Serine/threonine protein phosphatase 2B catalytic subunit 2	0.0084	0.048	0.2272
Brugia malayi	glutaminase DH11.1	0.028	0.2111	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0703	0.3156
Leishmania major	serine/threonine protein phosphatase 2B catalytic subunit A2, putative	0.0084	0.048	0.2371
Loa Loa (eye worm)	hypothetical protein	0.0083	0.047	0.202
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0199	0.1439	0.4395
Echinococcus granulosus	Protein patched homolog 1	0.0111	0.0703	0.3477
Plasmodium vivax	plasmepsin V, putative	0.0083	0.0475	0.1451
Chlamydia trachomatis	outer membrane protein PmpD	0.0219	0.1604	1
Brugia malayi	Pepsin A precursor	0.0083	0.0475	0.225
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0083	0.0475	0.0475
Onchocerca volvulus	Peroxidasin homolog	0.0133	0.0889	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0889	0.4057
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0092	0.0437
Trichomonas vaginalis	N-myristoyl transferase, putative	0.0193	0.1388	0.6576
Brugia malayi	Animal haem peroxidase family protein	0.0133	0.0889	0.421
Schistosoma mansoni	patched 1	0.0111	0.0703	0.0703
Trypanosoma cruzi	serine/threonine protein phosphatase 2B catalytic subunit A2, putative	0.0084	0.048	0.2371
Trichomonas vaginalis	glutaminase, putative	0.028	0.2111	1
Toxoplasma gondii	thioredoxin reductase	0.0076	0.0415	0.1266
Loa Loa (eye worm)	calpain family protein 1	0.0053	0.022	0.0807
Brugia malayi	beta-lactamase family protein	0.0037	0.0092	0.0437
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0199	0.1439	0.1439
Brugia malayi	Animal haem peroxidase family protein	0.0133	0.0889	0.421
Brugia malayi	glutathione reductase	0.0076	0.0415	0.1964
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0092	0.0184
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0111	0.0703	0.0703
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0199	0.1439	0.7113
Trypanosoma cruzi	serine/threonine protein phosphatase, putative	0.0084	0.048	0.2371
Brugia malayi	Animal haem peroxidase family protein	0.0133	0.0889	0.421
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0889	0.4057
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.0269	0.2023	1
Chlamydia trachomatis	outer membrane protein PmpB	0.0219	0.1604	1
Onchocerca volvulus	Peroxidasin homolog	0.0133	0.0889	1
Treponema pallidum	NADH oxidase	0.0026	0	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0133	0.0889	0.4057
Loa Loa (eye worm)	glutaminase	0.028	0.2111	1
Plasmodium falciparum	glutathione reductase	0.0076	0.0415	0.1266
Echinococcus multilocularis	calpain family protein 1, d	0.0039	0.0104	0.0515
Onchocerca volvulus		0.0133	0.0889	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0889	0.4057
Brugia malayi	calpain family protein 1	0.0053	0.022	0.1044
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0092	0.052
Brugia malayi	CHE-14 protein	0.0111	0.0703	0.3332
Brugia malayi	aspartic protease BmAsp-2, identical	0.0083	0.0475	0.225
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0092	0.0437
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0055	0.024	0.1188
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0889	0.4057
Schistosoma mansoni	N-myristoyltransferase	0.0193	0.1388	0.1388
Trichomonas vaginalis	esterase, putative	0.0037	0.0092	0.0437
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0055	0.024	0.1188
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0076	0.0415	0.205
Brugia malayi	aspartic protease BmAsp-1, identical	0.0083	0.0475	0.225
Loa Loa (eye worm)	blistered cuticle protein 3	0.0133	0.0889	0.4057
Plasmodium vivax	aspartyl protease, putative	0.0419	0.3274	1
Plasmodium falciparum	plasmepsin II	0.0199	0.1439	0.4395
Brugia malayi	N-myristoyltransferase 2	0.0193	0.1388	0.6576
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0126	0.0832	0.5996
Mycobacterium ulcerans	lipase LipD	0.0037	0.0092	0.0437
Echinococcus granulosus	peroxidasin	0.0133	0.0889	0.4393
Brugia malayi	calpain family protein 1	0.0053	0.022	0.1044
Plasmodium vivax	plasmepsin IV, putative	0.0199	0.1439	0.4395
Brugia malayi	Thioredoxin reductase	0.0076	0.0415	0.1964
Brugia malayi	Blistered cuticle protein 3	0.0133	0.0889	0.421
Onchocerca volvulus		0.0083	0.0475	0.5041
Leishmania major	N-myristoyl transferase, putative	0.0193	0.1388	0.6862
Toxoplasma gondii	aspartyl protease ASP1	0.0199	0.1439	0.4395
Plasmodium falciparum	plasmepsin X	0.0419	0.3274	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0239	0.1774	1
Loa Loa (eye worm)	hypothetical protein	0.0199	0.1439	0.6732
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0889	0.4057
Plasmodium vivax	aspartyl protease, putative	0.0419	0.3274	1
Schistosoma mansoni	peroxidasin	0.0133	0.0889	0.0889
Trypanosoma cruzi	trypanothione reductase, putative	0.0076	0.0415	0.205
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0092	0.0092
Schistosoma mansoni	glutaminase	0.028	0.2111	0.2111
Schistosoma mansoni	cathepsin D (A01 family)	0.0886	0.7165	0.7165
Echinococcus granulosus	sterol regulatory element binding protein	0.0111	0.0703	0.3477
Plasmodium falciparum	plasmepsin V	0.0083	0.0475	0.1451
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0092	0.052
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0026	0	0.5
Mycobacterium ulcerans	glutaminase	0.028	0.2111	1
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0126	0.0832	0.3943
Loa Loa (eye worm)	hypothetical protein	0.0084	0.048	0.2068
Schistosoma mansoni	protein phosphatase-2b	0.0084	0.048	0.048
Plasmodium falciparum	plasmepsin VIII, putative	0.0083	0.0475	0.1451
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.0269	0.2023	1
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0092	0.0456
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0223	0.1638	0.1638
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0053	0.022	0.022
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0092	0.0281
Giardia lamblia	CDC72	0.0193	0.1388	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0083	0.0475	0.0475
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0083	0.0475	0.0475
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0092	0.052
Loa Loa (eye worm)	calpain family protein 1	0.0039	0.0104	0.0243
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0092	0.0456
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0026	0	0.5
Brugia malayi	Peroxidasin	0.0133	0.0889	0.421
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0092	0.052
Onchocerca volvulus		0.0037	0.0092	0.0454
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0092	0.052
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0055	0.024	0.024
Leishmania major	serine/threonine protein phosphatase, putative	0.0084	0.048	0.2371
Plasmodium vivax	thioredoxin reductase, putative	0.0076	0.0415	0.1266
Toxoplasma gondii	protein phosphatase 2B catalytic subunit, calcineurin family phosphatse superfamily protein	0.0084	0.048	0.1465
Onchocerca volvulus	Peroxidase homolog	0.0133	0.0889	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0083	0.0475	0.0475
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.0269	0.2023	1
Onchocerca volvulus	Peroxidase homolog	0.0133	0.0889	1
Entamoeba histolytica	glycylpeptide N-tetradecanoyltransferase, putative	0.0193	0.1388	1
Plasmodium falciparum	serine/threonine protein phosphatase 2B catalytic subunit A	0.0084	0.048	0.1465
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0092	1
Chlamydia trachomatis	outer membrane protein PmpC	0.0219	0.1604	1
Loa Loa (eye worm)	glutaminase 2	0.028	0.2111	1
Toxoplasma gondii	aspartyl protease	0.0083	0.0475	0.1451
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0092	0.0092
Plasmodium vivax	glutathione reductase, putative	0.0076	0.0415	0.1266
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0092	1
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0269	0.2023	1
Loa Loa (eye worm)	animal heme peroxidase	0.0133	0.0889	0.4057
Brugia malayi	beta-lactamase	0.0037	0.0092	0.0437
Plasmodium vivax	glycylpeptide N-tetradecanoyltransferase, putative	0.0193	0.1388	0.424
Loa Loa (eye worm)	thioredoxin reductase	0.0076	0.0415	0.1752
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0092	0.052
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0083	0.0475	0.0475
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0269	0.2023	1
Schistosoma mansoni	peroxidasin	0.0133	0.0889	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0269	0.2023	0.9572
Loa Loa (eye worm)	N-myristoyltransferase 2	0.0193	0.1388	0.6485
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0083	0.0475	0.0475
Schistosoma mansoni	cathepsin D (A01 family)	0.0886	0.7165	0.7165
Trypanosoma cruzi	N-myristoyl transferase, putative	0.0193	0.1388	0.6862
Loa Loa (eye worm)	aspartyl protease 6	0.0083	0.0475	0.2045
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.0269	0.2023	0.9583
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0092	0.0437
Plasmodium falciparum	plasmepsin VI	0.0199	0.1439	0.4395
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.0269	0.2023	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0092	0.0437
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0199	0.1439	0.7113
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0889	0.4057
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0092	0.0184
Toxoplasma gondii	aspartyl protease ASP3	0.0419	0.3274	1
Plasmodium vivax	serine/threonine protein phosphatase 2B catalytic subunit A, putative	0.0084	0.048	0.1465
Schistosoma mansoni	protein phosphatase-2b	0.0084	0.048	0.048
Brugia malayi	hypothetical protein	0.0083	0.0475	0.225
Leishmania major	trypanothione reductase	0.0076	0.0415	0.205
Schistosoma mansoni	memapsin-2 (A01 family)	0.0083	0.0475	0.0475
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0092	0.0184
Loa Loa (eye worm)	animal heme peroxidase	0.0133	0.0889	0.4057
Echinococcus granulosus	serine:threonine protein phosphatase 2B	0.0084	0.048	0.2371
Trypanosoma cruzi	N-myristoyl transferase, putative	0.0193	0.1388	0.6862
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0889	0.4057
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0889	0.4057
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0092	0.0437
Echinococcus granulosus	serine:threonine protein phosphatase 2B	0.0084	0.048	0.2371
Plasmodium falciparum	plasmepsin III	0.0083	0.0475	0.1451
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0889	0.4057
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0092	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0889	0.4057
Toxoplasma gondii	ABC1 family protein	0.0037	0.0092	0.0281
Leishmania major	hypothetical protein, conserved	0.0037	0.0092	0.0456
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0092	0.0456
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0092	0.0456
Trypanosoma cruzi	serine/threonine protein phosphatase, putative	0.0084	0.048	0.2371
Echinococcus multilocularis	serine:threonine protein phosphatase 2B	0.0084	0.048	0.2371
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0126	0.0832	0.3943
Plasmodium falciparum	plasmepsin IV	0.0199	0.1439	0.4395
Brugia malayi	beta-lactamase family protein	0.0037	0.0092	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0092	0.0184
Echinococcus multilocularis	protein dispatched 1	0.0111	0.0703	0.3477
Echinococcus multilocularis	peroxidasin	0.0133	0.0889	0.4393
Echinococcus multilocularis	protein patched	0.0111	0.0703	0.3477
Loa Loa (eye worm)	glutathione reductase	0.0076	0.0415	0.1752
Chlamydia trachomatis	outer membrane protein PmpE	0.0219	0.1604	1
Plasmodium falciparum	plasmepsin I	0.0199	0.1439	0.4395
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0889	0.4057
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0055	0.024	0.024
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0104	0.0243
Brugia malayi	Animal haem peroxidase family protein	0.0133	0.0889	0.421

Activities

Activity type	Activity value	Assay description	Source	Reference
Zone of stimulation (functional)	NA 0 mM	The relative ability of compound to promote the growth of S. flexneri SA 240, a strain lacking the ability to synthesize siderophores was measured as zone stimulation at concentration of 50 uM; NA=No activity	ChEMBL.	1825849
Zone of stimulation (functional)	= 17 mM	The relative ability of compound to promote the growth of S. flexneri SA 240, a strain lacking the ability to synthesize siderophores was measured as zone stimulation at concentration of 100 uM	ChEMBL.	1825849
Zone of stimulation (functional)	= 28 mM	The relative ability of compound to promote the growth of S. flexneri SA 240, a strain lacking the ability to synthesize siderophores was measured as zone stimulation at concentration of 500 uM	ChEMBL.	1825849
Zone of stimulation (functional)	= 41 mM	The relative ability of compound to promote the growth of S. flexneri SA 240, a strain lacking the ability to synthesize siderophores was measured as zone stimulation at concentration of 1 mM	ChEMBL.	1825849
Zone of stimulation (functional)	= 45 mM	The relative ability of compound to promote the growth of S. flexneri SA 240, a strain lacking the ability to synthesize siderophores was measured as zone stimulation at concentration of 5 mM	ChEMBL.	1825849

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL433605

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 305937