TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 473.32 | Formula: C21H21BrN4O4
H donors: 4 H acceptors: 4 LogP: 4.38 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CC(=O)NC(Cc1ccc(cc1)O)(C)C)N=Nc1c(O)[nH]c2c1ccc(c2)Br
InChi: 1S/C21H21BrN4O4/c1-21(2,11-12-3-6-14(27)7-4-12)24-17(28)10-18(29)25-26-19-15-8-5-13(22)9-16(15)23-20(19)30/h3-9,23,27,30H,10-11H2,1-2H3,(H,24,28)
InChiKey: PZUQVEVECUQBGP-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, beta, acid	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Onchocerca volvulus	Glucosylceramidase homolog	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Brugia malayi	O-Glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0037	0.033	0.033
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0037	0.033	0.0501
Onchocerca volvulus		0.0016	0.0075	0.0203
Entamoeba histolytica	hypothetical protein	0.0039	0.0354	1
Schistosoma mansoni	dihydropteridine reductase	0.0037	0.033	0.033
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0634	1
Loa Loa (eye worm)	oxidoreductase	0.0037	0.033	0.0879
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3665	0.5564
Echinococcus granulosus	thioredoxin glutathione reductase	0.0045	0.0421	0.0421
Echinococcus multilocularis	dna polymerase eta	0.0021	0.0132	0.0132
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0132	0.0132
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.2496	0.3789
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0112	0.124	0.1883
Loa Loa (eye worm)	hypothetical protein	0.018	0.2067	0.5631
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0037	0.033	0.0501
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0354	0.0354
Plasmodium falciparum	3-oxoacyl-[acyl-carrier-protein] reductase	0.0037	0.033	0.0411
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0627	0.0627
Echinococcus granulosus	geminin	0.0205	0.2362	0.2362
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0634	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0132	0.1224
Trypanosoma brucei	unspecified product	0.0021	0.0132	0.1369
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0015	0.0062	0.0094
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0132	0.1369
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0132	0.1369
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0504	0.0504
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0037	0.033	0.4687
Schistosoma mansoni	DNA polymerase eta	0.0021	0.0132	0.0132
Brugia malayi	Muscleblind-like protein	0.018	0.2067	0.5631
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0037	0.033	0.0501
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0075	0.018
Plasmodium falciparum	glutathione reductase	0.0044	0.0414	0.0539
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0037	0.033	0.0501
Loa Loa (eye worm)	glutathione reductase	0.0044	0.0414	0.1108
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0101	0.1103	0.1675
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0075	0.018
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0244	0.2837	0.7736
Plasmodium vivax	thioredoxin reductase, putative	0.0044	0.0414	0.0539
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0354	0.0354
Loa Loa (eye worm)	ctsf protein	0.0016	0.0075	0.018
Leishmania major	cathepsin L-like protease	0.0062	0.0634	1
Brugia malayi	hypothetical protein	0.0039	0.0354	0.0944
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0112	0.124	0.1883
Echinococcus granulosus	muscleblind protein	0.018	0.2067	0.2067
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0075	0.0075
Echinococcus granulosus	dna polymerase eta	0.0021	0.0132	0.0132
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0015	0.0062	0.0094
Leishmania major	cathepsin L-like protease	0.0016	0.0075	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0037	0.033	0.0879
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.03	0.0365
Onchocerca volvulus		0.0016	0.0075	0.0203
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0016	0.0075	0.0113
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.0113
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0.033	0.0501
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0075	0.0113
Schistosoma mansoni	hypothetical protein	0.0205	0.2362	0.2362
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0132	0.1224
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0037	0.033	0.0501
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0037	0.033	0.4687
Toxoplasma gondii	3-ketoacyl-(acyl-carrier-protein) reductase	0.0037	0.033	0.0411
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0634	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0.033	0.0501
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0552	0.6587	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.03	0.03
Leishmania major	cathepsin L-like protease	0.0062	0.0634	1
Entamoeba histolytica	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0037	0.033	0.9314
Onchocerca volvulus		0.0016	0.0075	0.0203
Mycobacterium tuberculosis	Probable oxidoreductase	0.0112	0.124	0.1883
Loa Loa (eye worm)	fibroinase	0.0016	0.0075	0.018
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0634	1
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0011	0.0013	0.001
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0.033	0.0501
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0015	0.0062	0.0094
Echinococcus multilocularis	geminin	0.0205	0.2362	0.2362
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0.033	0.0501
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0037	0.033	0.0879
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0552	0.6587	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0.033	0.0501
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.2496	0.3789
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0552	0.6587	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.03	0.0797
Trichomonas vaginalis	DNA polymerase eta, putative	0.0021	0.0132	0.0201
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.03	0.03
Onchocerca volvulus		0.0035	0.03	0.0901
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0037	0.033	0.0501
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0504	0.0504
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0037	0.033	0.0501
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0285	0.0285
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0132	0.1224
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0132	0.0337
Onchocerca volvulus		0.0037	0.033	0.0992
Onchocerca volvulus		0.0277	0.3246	1
Echinococcus multilocularis	cysteine protease	0.0016	0.0075	0.0075
Mycobacterium tuberculosis	Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase)	0.0037	0.033	0.0501
Schistosoma mansoni	microtubule-associated protein tau	0.0833	1	1
Plasmodium vivax	glutathione reductase, putative	0.0044	0.0414	0.0539
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0504	0.0504
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.0009	0.0013
Entamoeba histolytica	hypothetical protein	0.0039	0.0354	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0792	0.95	0.95
Brugia malayi	Pre-SET motif family protein	0.0035	0.03	0.0797
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.0504	0.1355
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0.033	0.0501
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0037	0.033	0.0501
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0504	0.0504
Trypanosoma cruzi	trypanothione reductase, putative	0.0044	0.0414	0.6152
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0015	0.0062	0.0062
Mycobacterium tuberculosis	Probable dehydrogenase	0.0101	0.1103	0.1675
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.0075	0.1907
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0.033	0.0501
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0015	0.0062	0.0146
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0634	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0627	0.0627
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0312	0.3665	1
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0552	0.6587	1
Onchocerca volvulus		0.0016	0.0075	0.0203
Treponema pallidum	NADH oxidase	0.0015	0.0062	1
Leishmania major	cathepsin L-like protease	0.0016	0.0075	0.0219
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.1293	0.3512
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.0113
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0132	0.1369
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0634	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.0132	0.0337
Entamoeba histolytica	cysteine proteinase, putative	0.0016	0.0075	0.1907
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.0113
Plasmodium vivax	SET domain protein, putative	0.0035	0.03	0.0365
Leishmania major	trypanothione reductase	0.0044	0.0414	0.6152
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0037	0.033	0.0501
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0552	0.6587	1
Mycobacterium tuberculosis	Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase)	0.0037	0.033	0.0501
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0132	0.1369
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.03	0.03
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.0113
Schistosoma mansoni	hypothetical protein	0.0205	0.2362	0.2362
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.0504	0.1355
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0.033	0.0501
Echinococcus granulosus	cathepsin l1	0.0011	0.0009	0.0009
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0132	0.0201
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0016	0.0075	0.0019
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0037	0.033	0.0501
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0075	0.018
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0.033	0.0501
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0044	0.0414	0.0628
Trypanosoma brucei	trypanothione reductase	0.0044	0.0414	0.6215
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0021	0.0132	0.0201
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.0075	0.018
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.0113
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.0113
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0.033	0.0501
Leishmania major	cathepsin L-like protease	0.0062	0.0634	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0.033	0.0501
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0015	0.0062	0.0166
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3665	0.5564
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0037	0.033	0.0879
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.03	0.03
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0634	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0021	0.0132	0.1369
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0132	0.1369
Trypanosoma cruzi	DNA polymerase eta, putative	0.0021	0.0132	0.1224
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0552	0.6587	1
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0075	0.018
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0037	0.033	0.0411
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0037	0.033	0.033
Mycobacterium ulcerans	20-beta-hydroxysteroid dehydrogenase FabG3	0.0037	0.033	0.0501
Loa Loa (eye worm)	thioredoxin reductase	0.0044	0.0414	0.1108
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2362	0.3585
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3665	0.5564
Leishmania major	pteridine reductase 1	0.0037	0.033	0.4687
Onchocerca volvulus		0.0016	0.0075	0.0203
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0101	0.1103	0.1675
Plasmodium vivax	vivapain-2	0.0016	0.0075	0.0019
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0021	0.0132	0.0201
Leishmania major	cathepsin L-like protease	0.0016	0.0075	0.0219
Mycobacterium tuberculosis	Possible oxidoreductase	0.0037	0.033	0.0501
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0634	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0075	0.0113
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0132	0.0132
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0627	0.1692
Brugia malayi	glutathione reductase	0.0044	0.0414	0.1108
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0132	1
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0552	0.6587	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0627	0.0627
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0132	0.1369
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2362	0.3585
Trypanosoma cruzi	cysteine peptidase, putative	0.0016	0.0075	0.0219
Mycobacterium ulcerans	oxidoreductase	0.0037	0.033	0.0501
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0015	0.0062	0.0166
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.0132	0.0132
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0132	0.1369
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.0113
Leishmania major	cysteine peptidase A (CPA)	0.0016	0.0075	0.0219
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0015	0.0062	0.0094
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.0075	0.0203
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0037	0.033	0.0879
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0132	0.1369
Onchocerca volvulus	Cathepsin F homolog	0.0016	0.0075	0.0203
Trichomonas vaginalis	hypothetical protein	0.0552	0.6587	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.03	0.03
Echinococcus multilocularis	muscleblind protein	0.018	0.2067	0.2067
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0075	0.0113
Schistosoma mansoni	hypothetical protein	0.0039	0.0354	0.0354
Loa Loa (eye worm)	hypothetical protein	0.018	0.2067	0.5631
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0075	0.0113
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0504	0.0504
Onchocerca volvulus		0.0037	0.033	0.0992
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0627	0.1692
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] reductase, putative	0.0037	0.033	0.0411
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0504	0.0504
Mycobacterium tuberculosis	Probable oxidoreductase	0.0037	0.033	0.0501
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0075	0.0075
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0045	0.0421	0.0421
Leishmania major	cathepsin L-like protease	0.0016	0.0075	0.0219
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2362	0.3585
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0.033	0.0501
Brugia malayi	RNA binding protein	0.0062	0.0627	0.1692
Onchocerca volvulus	Cathepsin L homolog	0.0016	0.0075	0.0203
Brugia malayi	TAR-binding protein	0.0062	0.0627	0.1692
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.0113
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.0568	0.8849
Chlamydia trachomatis	oxoacy-ACP reductase	0.0037	0.033	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0132	0.0337
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3665	0.5564
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0075	0.0075
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0132	0.1369
Toxoplasma gondii	cathepsin CPL	0.0016	0.0075	0.0019
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0037	0.033	0.0501
Plasmodium falciparum	thioredoxin reductase	0.0044	0.0414	0.0539
Plasmodium vivax	vivapain-2	0.0016	0.0075	0.0019
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0112	0.124	0.1883
Brugia malayi	Pre-SET motif family protein	0.0244	0.2837	0.7736
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0015	0.0062	0.0094
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0634	1
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0037	0.033	0.0501
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2362	0.3585
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0634	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0011	0.0013	0.001
Leishmania major	oxidoreductase-like protein	0.0037	0.033	0.4687
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0016	0.0075	0.018
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0.033	0.0501
Mycobacterium tuberculosis	Possible oxidoreductase	0.0037	0.033	0.0501
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0552	0.6587	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.0113
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0627	0.0627
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0016	0.0075	0.0019
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.1293	0.3512
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0021	0.0132	0.3574
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.0113
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0132	0.1369
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0101	0.1103	0.1675
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.0113
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.0472	0.7162
Mycobacterium leprae	POSSIBLE OXIDOREDUCTASE	0.0037	0.033	0.0501
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0015	0.0062	0.0094
Onchocerca volvulus	Glucosylceramidase homolog	0.0205	0.2362	0.7268
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0075	0.0113
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0.033	0.0501
Echinococcus multilocularis	muscleblind protein 1	0.018	0.2067	0.2067
Trypanosoma brucei	pteridine reductase 1	0.0037	0.033	0.4775
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.03	0.03
Toxoplasma gondii	thioredoxin reductase	0.0044	0.0414	0.0539
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0075	0.0113
Loa Loa (eye worm)	cysteine protease	0.0016	0.0075	0.018
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0132	0.1369
Schistosoma mansoni	cathepsin F (C01 family)	0.0011	0.0009	0.0009
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0101	0.1103	0.1675
Leishmania major	3-oxoacyl-ACP reductase, putative	0.0037	0.033	0.4687
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0132	0.0337
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0037	0.033	0.033
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0.033	0.0501
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0021	0.0132	0.0201
Trichomonas vaginalis	set domain proteins, putative	0.0277	0.3246	0.4928
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0016	0.0075	0.018
Brugia malayi	Thioredoxin reductase	0.0044	0.0414	0.1108
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0.033	0.0501
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0627	0.0627
Leishmania major	cathepsin L-like protease	0.0016	0.0075	0.0219
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0627	0.1692
Toxoplasma gondii	short chain dehydrogenase family protein, putative	0.0037	0.033	0.0411
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0132	0.1369
Mycobacterium tuberculosis	Probable reductase	0.0101	0.1103	0.1675
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0015	0.0062	0.0062
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0075	0.0113
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.0132	0.1224
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0.033	0.0501
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0015	0.0062	0.0062
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0016	0.0075	0.0075
Onchocerca volvulus		0.0016	0.0075	0.0203
Echinococcus multilocularis	microtubule associated protein 2	0.0833	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.0113
Echinococcus multilocularis	cysteine protease	0.0016	0.0075	0.0075
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0354	0.0354
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0132	0.0201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.0113
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3665	0.5564
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0015	0.0062	0.0166
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0075	0.018
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0.033	0.0501
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0037	0.033	0.4687
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.03	0.03
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0132	0.0132
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0075	0.0113
Mycobacterium ulcerans	short chain dehydrogenase	0.0037	0.033	0.0501
Trypanosoma brucei	oxidoreductase-like protein	0.0037	0.033	0.4775
Leishmania major	DNA polymerase eta, putative	0.0021	0.0132	0.1224
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0037	0.033	0.0501
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0634	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2362	0.3585
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0075	0.0075
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0016	0.0075	0.0113
Entamoeba histolytica	hypothetical protein	0.0039	0.0354	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0132	0.1224
Entamoeba histolytica	hypothetical protein	0.0039	0.0354	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0312	0.3665	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0101	0.1103	0.1675
Trichomonas vaginalis	mercuric reductase, putative	0.0015	0.0062	0.0094
Onchocerca volvulus		0.0016	0.0075	0.0203
Leishmania major	DNA polymerase kappa, putative	0.0021	0.0132	0.1224
Entamoeba histolytica	cysteine protease, putative	0.0016	0.0075	0.1907
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0015	0.0062	0.0166
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.0132	0.0132
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0132	0.1369
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0075	0.018
Mycobacterium leprae	3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI	0.0037	0.033	0.0501
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0016	0.0075	0.0113
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0037	0.033	0.0879
Trypanosoma brucei	beta-ketoacyl-ACP reductase	0.0037	0.033	0.4775
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.0634	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2362	0.3585
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0075	0.018
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0634	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0016	0.0075	0.0075
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0634	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.0009	0.0013
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0075	0.0075
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0627	0.0627
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0037	0.033	0.4687
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0016	0.0075	0.0113
Trichomonas vaginalis	glutathione reductase, putative	0.0015	0.0062	0.0094
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0037	0.033	0.0501
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0634	1
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0037	0.033	0.4687
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3665	0.5564
Echinococcus granulosus	cathepsin l1	0.0016	0.0075	0.0075
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0016	0.0075	0.0019
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0132	0.0132
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0075	0.0075
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0627	0.1692
Brugia malayi	MH2 domain containing protein	0.0117	0.1293	0.3512
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0504	0.0504
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0627	0.0627
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.2362	0.3585

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.8048 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (binding)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (binding)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (binding)	15.8489 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.9185 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	63.0957 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1391177

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1279624