TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 438.692 | Formula: C28H46N4
H donors: 4 H acceptors: 0 LogP: 4.56 Rotable bonds: 21
Rule of 5 violations (Lipinski): 1
SMILES: C(CNCCCNCCCc1ccccc1)CCNCCCNCCCc1ccccc1
InChi: 1S/C28H46N4/c1-3-13-27(14-4-1)17-9-21-31-25-11-23-29-19-7-8-20-30-24-12-26-32-22-10-18-28-15-5-2-6-16-28/h1-6,13-16,29-32H,7-12,17-26H2
InChiKey: FJIXCJVDARMBER-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
Trypanosoma cruzi	trypanothione reductase, putative	Starlite/ChEMBL	References
Rattus norvegicus	Glutamate NMDA receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

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

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
Toxoplasma gondii	thioredoxin reductase	0.00761339	0.20801	0.572617
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0121416	0.363262	0.37728
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0121416	0.363262	0.363262
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.00263827	0.0374353	0.103053
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.00263827	0.0374353	0.5
Plasmodium vivax	glutathione reductase, putative	0.00761339	0.20801	1
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0291668	0.946981	1
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0296295	0.962846	0.962846
Loa Loa (eye worm)	hypothetical protein	0.0307132	1	1
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.00208196	0.0183621	0.0183621
Echinococcus multilocularis	carbonic anhydrase	0.0121416	0.363262	0.37728
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0296295	0.962846	1
Schistosoma mansoni	tyrosine kinase	0.002125	0.0198378	0.0198378
Echinococcus granulosus	tyrosine protein kinase Fyn	0.002125	0.0198378	0.0206032
Brugia malayi	SRC-1	0.002125	0.0198378	0.0206032
Loa Loa (eye worm)	SRC-1	0.002125	0.0198378	0.0198378
Schistosoma mansoni	tyrosine kinase	0.002125	0.0198378	0.0198378
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.00263827	0.0374353	0.103053
Brugia malayi	Thioredoxin reductase	0.00761339	0.20801	0.216037
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0121416	0.363262	0.37728
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0307132	1	1
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.00263827	0.0374353	0.103053
Echinococcus multilocularis	NCK adaptor protein	0.00208196	0.0183621	0.0190706
Treponema pallidum	NADH oxidase	0.00263827	0.0374353	0.5
Echinococcus granulosus	growth factor receptor bound protein 2	0.0296295	0.962846	1
Loa Loa (eye worm)	hypothetical protein	0.0121416	0.363262	0.363262
Schistosoma mansoni	carbonic anhydrase-related	0.0121416	0.363262	0.363262
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0121416	0.363262	0.37728
Echinococcus multilocularis	c src tyrosine kinase	0.002125	0.0198378	0.0206032
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.00263827	0.0374353	0.103053
Plasmodium falciparum	thioredoxin reductase	0.00263827	0.0374353	0.103053
Echinococcus granulosus	carbonic anhydrase II	0.0121416	0.363262	0.37728
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.002125	0.0198378	0.0206032
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.00263827	0.0374353	0.103053
Onchocerca volvulus	Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog	0.0015464	0	0.5
Echinococcus granulosus	tyrosine protein kinase Src42A	0.002125	0.0198378	0.0206032
Brugia malayi	Sex muscle abnormal protein 5	0.0296295	0.962846	1
Trypanosoma cruzi	trypanothione reductase, putative	0.00761339	0.20801	0.572617
Leishmania major	trypanothione reductase	0.00761339	0.20801	0.572617
Brugia malayi	Tyrosine-protein kinase abl-1	0.002125	0.0198378	0.0206032
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.00263827	0.0374353	0.103053
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.00263827	0.0374353	0.103053
Mycobacterium tuberculosis	Probable oxidoreductase	0.00263827	0.0374353	0.0395312
Echinococcus granulosus	NCK adaptor protein	0.00208196	0.0183621	0.0190706
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.00224668	0.0240095	1
Trypanosoma brucei	trypanothione reductase	0.00761339	0.20801	0.572617
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.002125	0.0198378	0.0206032
Loa Loa (eye worm)	hypothetical protein	0.00208196	0.0183621	0.0183621
Schistosoma mansoni	growth factor receptor-bound protein	0.0296295	0.962846	0.962846
Plasmodium falciparum	carbonic anhydrase	0.0121416	0.363262	1
Brugia malayi	glutathione reductase	0.00761339	0.20801	0.216037
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.00263827	0.0374353	0.0395312
Schistosoma mansoni	nck2/grb4	0.00208196	0.0183621	0.0183621
Plasmodium falciparum	thioredoxin reductase	0.00761339	0.20801	0.572617
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.00263827	0.0374353	0.179969
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0121416	0.363262	0.363262
Toxoplasma gondii	NADPH-glutathione reductase	0.00263827	0.0374353	0.103053
Trypanosoma cruzi	trypanothione reductase, putative	0.00263827	0.0374353	0.103053
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.00193798	0.0134258	0.0139439
Giardia lamblia	NADH oxidase lateral transfer candidate	0.00263827	0.0374353	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0121416	0.363262	0.37728
Schistosoma mansoni	carbonic anhydrase	0.0121416	0.363262	0.363262
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.00263827	0.0374353	0.103053
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0121416	0.363262	0.363262
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.00263827	0.0374353	0.0374353
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.002125	0.0198378	0.0206032
Echinococcus granulosus	tyrosine protein kinase Lyn	0.002125	0.0198378	0.0206032
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.00263827	0.0374353	0.0374353
Echinococcus granulosus	carbonic anhydrase	0.0121416	0.363262	0.37728
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.002125	0.0198378	0.0206032
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.00263827	0.0374353	0.0395312
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.00263827	0.0374353	0.0374353
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.00263827	0.0374353	0.179969
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.002125	0.0198378	0.0206032
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.002125	0.0198378	0.0206032
Plasmodium vivax	thioredoxin reductase, putative	0.00761339	0.20801	1
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.00263827	0.0374353	1
Loa Loa (eye worm)	hypothetical protein	0.0121416	0.363262	0.363262
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0121416	0.363262	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.002125	0.0198378	0.0206032
Schistosoma mansoni	adapter molecule crk	0.00208196	0.0183621	0.0183621
Echinococcus multilocularis	thioredoxin glutathione reductase	0.00761339	0.20801	0.216037
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.002125	0.0198378	0.0206032
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.00263827	0.0374353	0.0374353
Echinococcus granulosus	carbonic anhydrase	0.0121416	0.363262	0.37728
Toxoplasma gondii	hypothetical protein	0.0121416	0.363262	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0121416	0.363262	0.363262
Onchocerca volvulus	Dimethylglycine dehydrogenase, mitochondrial homolog	0.0015464	0	0.5
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.00263827	0.0374353	0.103053
Loa Loa (eye worm)	hypothetical protein	0.0121416	0.363262	0.363262
Schistosoma mansoni	hypothetical protein	0.0121416	0.363262	0.363262
Schistosoma mansoni	d-amino acid oxidase	0.0307132	1	1
Schistosoma mansoni	tyrosine kinase	0.002125	0.0198378	0.0198378
Schistosoma mansoni	carbonic anhydrase-related	0.0121416	0.363262	0.363262
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.00263827	0.0374353	0.0395312
Plasmodium falciparum	glutathione reductase	0.00263827	0.0374353	0.103053
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0121416	0.363262	0.37728
Echinococcus granulosus	tyrosine protein kinase Fyn	0.002125	0.0198378	0.0206032
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.002125	0.0198378	0.0206032
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.00263827	0.0374353	0.0388798
Trypanosoma brucei	carbonic anhydrase-like protein	0.0121416	0.363262	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.00761339	0.20801	0.219656
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.00193798	0.0134258	0.0139439
Echinococcus granulosus	c src tyrosine kinase	0.002125	0.0198378	0.0206032
Schistosoma mansoni	carbonic anhydrase-related	0.0121416	0.363262	0.363262
Echinococcus granulosus	thioredoxin glutathione reductase	0.00761339	0.20801	0.216037
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.00263827	0.0374353	0.103053
Echinococcus multilocularis	carbonic anhydrase	0.0121416	0.363262	0.37728
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.00263827	0.0374353	0.0388798
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0121416	0.363262	0.37728
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.00263827	0.0374353	0.103053
Schistosoma mansoni	growth factor receptor-bound protein	0.0296295	0.962846	0.962846
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.00263827	0.0374353	0.103053
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.00263827	0.0374353	0.0374353
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.00263827	0.0374353	0.103053
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.002125	0.0198378	0.0206032
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.00263827	0.0374353	0.103053
Brugia malayi	Variant SH3 domain containing protein	0.00208196	0.0183621	0.0190706
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.00263827	0.0374353	0.103053
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.00263827	0.0374353	0.103053
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.00263827	0.0374353	0.103053
Loa Loa (eye worm)	glutathione reductase	0.00761339	0.20801	0.20801
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.002125	0.0198378	0.0206032
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.002125	0.0198378	0.0206032
Trichomonas vaginalis	glutathione reductase, putative	0.00263827	0.0374353	0.5
Loa Loa (eye worm)	carbonic anhydrase 3	0.0121416	0.363262	0.363262
Echinococcus multilocularis	carbonic anhydrase II	0.0121416	0.363262	0.37728
Trichomonas vaginalis	mercuric reductase, putative	0.00263827	0.0374353	0.5
Schistosoma mansoni	tyrosine kinase	0.002125	0.0198378	0.0198378
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0121416	0.363262	1
Echinococcus granulosus	carbonic anhydrase	0.0121416	0.363262	0.37728
Echinococcus multilocularis	tyrosine protein kinase Abl	0.002125	0.0198378	0.0206032
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0307132	1	1
Onchocerca volvulus	Putative fad oxidoreductase	0.0015464	0	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.002125	0.0198378	0.0206032
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.002125	0.0198378	0.0198378
Leishmania major	carbonic anhydrase-like protein	0.0121416	0.363262	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.00263827	0.0374353	0.5
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.00263827	0.0374353	0.103053
Plasmodium falciparum	glutathione reductase	0.00761339	0.20801	0.572617
Brugia malayi	Variant SH3 domain containing protein	0.00208196	0.0183621	0.0190706
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.002125	0.0198378	0.0206032
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0121416	0.363262	0.37728
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.00263827	0.0374353	0.0388798
Loa Loa (eye worm)	thioredoxin reductase	0.00761339	0.20801	0.20801
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.00208196	0.0183621	0.0183621
Echinococcus granulosus	tyrosine protein kinase Src64B	0.002125	0.0198378	0.0206032
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.00263827	0.0374353	0.103053
Echinococcus multilocularis	carbonic anhydrase	0.0121416	0.363262	0.37728

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.81 uM	Tested in vitro for trypanocidal activity against a drug sensitive strain of Trypanosoma brucei Lab 110 EATRO	ChEMBL.	11206471
IC50 (functional)	= 0.81 uM	Tested in vitro for trypanocidal activity against a drug sensitive strain of Trypanosoma brucei Lab 110 EATRO	ChEMBL.	11206471
IC50 (functional)	= 1.5 uM	Tested in vitro for trypanocidal activity against KETRI 243 an uncloned clinical isolate of Trypanosoma brucei. rhodesiense	ChEMBL.	11206471
IC50 (functional)	= 1.5 uM	Tested in vitro for trypanocidal activity against KETRI 243 an uncloned clinical isolate of Trypanosoma brucei. rhodesiense	ChEMBL.	11206471
IC50 (functional)	= 1.8 uM	Tested in vitro for trypanocidal activity against KETRI 269 an uncloned clinical isolate of Trypanosoma brucei. rhodesiense	ChEMBL.	11206471
IC50 (functional)	= 1.8 uM	Tested in vitro for trypanocidal activity against KETRI 269 an uncloned clinical isolate of Trypanosoma brucei. rhodesiense	ChEMBL.	11206471
IC50 (functional)	= 2.2 uM	Tested in vitro for trypanocidal activity against KETRI 243-As-10-3 a pentamidine and melarsoprol resistant clone of Trypanosoma brucei. rhodesiense KETRI 243	ChEMBL.	11206471
IC50 (functional)	= 2.2 uM	Tested in vitro for trypanocidal activity against KETRI 243-As-10-3 a pentamidine and melarsoprol resistant clone of Trypanosoma brucei. rhodesiense KETRI 243	ChEMBL.	11206471
IC50 (binding)	= 7.4 uM	Inhibition of [3H]MK-801 binding to rat NMDA receptor	ChEMBL.	16563762
IC50 (binding)	= 7.4 uM	Inhibition of [3H]MK-801 binding to rat NMDA receptor	ChEMBL.	16563762
Ki (binding)	= 12.3 uM	Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi	ChEMBL.	11206471
Ki (binding)	= 12.3 uM	Tested for binding affinity against trypanothione reductase from Trypanosoma cruzi	ChEMBL.	11206471
Ratio IC50 (binding)	= 0.92	Attenuation at rat NMDA receptor assessed as ratio of inhibition of [3H]MK-801 binding to NMDA receptor in presence to absence of spermine	ChEMBL.	16563762
Ratio IC50 (binding)	= 0.92	Attenuation at rat NMDA receptor assessed as ratio of inhibition of [3H]MK-801 binding to NMDA receptor in presence to absence of spermine	ChEMBL.	16563762

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma brucei	ChEMBL23	11206471
Trypanosoma brucei gambiense		11206471

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: CHEMBL86096

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 139407