TDR Targets

Basic information

Technical information

TDR Targets ID: 1247152
Name: MLS001033473
MW: 364.85 | Formula: C16H17ClN4O2S
H donors: 2 H acceptors: 3 LogP: 3.4 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: C=CCn1c(SC(C(=O)NC(=O)N)C)ncc1c1ccc(cc1)Cl
InChi: 1S/C16H17ClN4O2S/c1-3-8-21-13(11-4-6-12(17)7-5-11)9-19-16(21)24-10(2)14(22)20-15(18)23/h3-7,9-10H,1,8H2,2H3,(H3,18,20,22,23)
InChiKey: OABOJYASVVYMJF-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

SMR000385629

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Rattus norvegicus	Thioredoxin reductase 1, cytoplasmic	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium hominis	thioredoxin 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
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	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 mexicana	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
Plasmodium berghei	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
Plasmodium yoelii	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
Plasmodium vivax	thioredoxin reductase, putative	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 knowlesi	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Toxoplasma gondii	thioredoxin 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
Loa Loa (eye worm)	thioredoxin reductase	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
Schistosoma japonicum	ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	glutathione 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	glutathione reductase, 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
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	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
Trypanosoma cruzi	trypanothione reductase, putative	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
Theileria parva	thioredoxin 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
Echinococcus multilocularis	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	Thioredoxin reductase	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
Leishmania major	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
Loa Loa (eye worm)	glutathione 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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	489 aa	22.7 %
Leishmania infantum	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	466 aa	20.6 %
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	Thioredoxin reductase 1, cytoplasmic	499 aa	465 aa	27.3 %
Plasmodium falciparum	thioredoxin reductase	Thioredoxin reductase 1, cytoplasmic	499 aa	511 aa	45.2 %
Leishmania braziliensis	dihydrolipoamide dehydrogenase	Thioredoxin reductase 1, cytoplasmic	499 aa	488 aa	21.9 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Plasmodium berghei	dihydrolipoyl dehydrogenase, mitochondrial, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	465 aa	26.9 %
Trypanosoma congolense	dihydrolipoamide dehydrogenase, point mutation	Thioredoxin reductase 1, cytoplasmic	499 aa	489 aa	22.5 %
Plasmodium knowlesi	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	519 aa	23.7 %
Leishmania mexicana	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	452 aa	25.7 %
Trypanosoma congolense	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	492 aa	23.2 %
Trypanosoma congolense	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	492 aa	23.2 %
Trypanosoma brucei gambiense	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	491 aa	23.6 %
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	Thioredoxin reductase 1, cytoplasmic	499 aa	506 aa	23.7 %
Trypanosoma brucei gambiense	dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	491 aa	23.2 %
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	Thioredoxin reductase 1, cytoplasmic	499 aa	490 aa	23.5 %
Toxoplasma gondii	NADPH-glutathione reductase	Thioredoxin reductase 1, cytoplasmic	499 aa	529 aa	31.8 %
Plasmodium berghei	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	539 aa	22.3 %
Trypanosoma congolense	dihydrolipoamide dehydrogenase, point mutation	Thioredoxin reductase 1, cytoplasmic	499 aa	489 aa	22.3 %
Plasmodium knowlesi	dihydrolipoyl dehydrogenase, mitochondrial, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	462 aa	25.8 %
Leishmania braziliensis	acetoin dehydrogenase e3 component-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	499 aa	22.8 %
Trypanosoma congolense	dihydrolipoamide dehydrogenase, point mutation, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	489 aa	22.7 %
Leishmania major	acetoin dehydrogenase e3 component-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	497 aa	24.1 %
Leishmania donovani	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	466 aa	20.6 %
Leishmania mexicana	acetoin dehydrogenase e3 component-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	499 aa	24.4 %
Plasmodium yoelii	dihydrolipoamide dehydrogenase	Thioredoxin reductase 1, cytoplasmic	499 aa	540 aa	23.3 %
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	518 aa	24.9 %
Neospora caninum	hypothetical protein	Thioredoxin reductase 1, cytoplasmic	499 aa	448 aa	27.0 %
Leishmania donovani	acetoin dehydrogenase e3 component-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	497 aa	24.1 %
Plasmodium falciparum	glutathione reductase	Thioredoxin reductase 1, cytoplasmic	499 aa	500 aa	32.2 %
Plasmodium yoelii	dihydrolipoamide dehydrogenase	Thioredoxin reductase 1, cytoplasmic	499 aa	465 aa	27.5 %
Neospora caninum	glutathione reductase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	492 aa	32.7 %
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	454 aa	25.3 %
Neospora caninum	Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related	Thioredoxin reductase 1, cytoplasmic	499 aa	464 aa	24.8 %
Onchocerca volvulus		Thioredoxin reductase 1, cytoplasmic	499 aa	499 aa	57.3 %
Trypanosoma brucei gambiense	dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	490 aa	23.3 %
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	Thioredoxin reductase 1, cytoplasmic	499 aa	448 aa	27.2 %
Leishmania infantum	acetoin dehydrogenase e3 component-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	497 aa	24.1 %
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	483 aa	23.0 %
Trypanosoma brucei	dihydrolipoamide dehydrogenase	Thioredoxin reductase 1, cytoplasmic	499 aa	492 aa	23.4 %
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	460 aa	25.4 %
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	489 aa	22.9 %
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	Thioredoxin reductase 1, cytoplasmic	499 aa	483 aa	23.0 %
Leishmania braziliensis	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	Thioredoxin reductase 1, cytoplasmic	499 aa	450 aa	25.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	jmjC domain-containing protein	0.0072	0.2207	0.2207
Onchocerca volvulus		0.0057	0.1679	0.2649
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0329	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0835	0.0835
Leishmania major	hypothetical protein, conserved	0.0026	0.0526	0.1759
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0594	0.0594
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0594	0.1171
Schistosoma mansoni	hypothetical protein	0.0071	0.2201	0.3158
Toxoplasma gondii	thioredoxin reductase	0.0057	0.1669	0.5195
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0287	0.001
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0835	0.2072
Echinococcus multilocularis	jumonji domain containing protein	0.0048	0.134	0.134
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0092	0.2952	1
Brugia malayi	Probable ClpP-like protease	0.0092	0.2952	0.2952
Plasmodium vivax	acyl-CoA synthetase, putative	0.0021	0.0329	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0594	0.0594
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0057	0.1669	0.1669
Plasmodium falciparum	glutathione reductase	0.0057	0.1669	0.5195
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0057	0.1669	0.2985
Schistosoma mansoni	transcription factor LCR-F1	0.0122	0.4085	0.5863
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0035	0.0835	0.1199
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0594	0.2254
Entamoeba histolytica	hypothetical protein	0.0122	0.4085	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.006	0.1779	0.1779
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.02	0.6967	0.6967
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0114	0.3767	0.3767
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0226	0.7935	0.7935
Brugia malayi	Thioredoxin reductase	0.0057	0.1669	0.1669
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0057	0.1679	0.1679
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0114	0.3767	0.3767
Schistosoma mansoni	hypothetical protein	0.0071	0.2201	0.3158
Schistosoma mansoni	hypothetical protein	0.0057	0.1679	0.2409
Loa Loa (eye worm)	glutathione reductase	0.0057	0.1669	0.1669
Echinococcus granulosus	GPCR family 2	0.0071	0.2201	0.2201
Brugia malayi	jmjC domain containing protein	0.0114	0.3767	0.3767
Schistosoma mansoni	hypothetical protein	0.0071	0.2201	0.3158
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0594	0.0673
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.002	0.0282	0.0282
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0092	0.2952	1
Leishmania major	trypanothione reductase	0.0057	0.1669	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.02	0.6967	0.6967
Brugia malayi	hypothetical protein	0.0026	0.0526	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0594	0.0594
Giardia lamblia	PHD finger protein 15	0.0035	0.0835	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.013	0.4388	0.8837
Brugia malayi	Bromodomain containing protein	0.0035	0.0835	0.0835
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0092	0.2952	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0594	0.1171
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0092	0.2952	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0145	0.4928	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0145	0.4928	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0021	0.0329	0.0178
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.002	0.0282	0.0405
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0071	0.2201	0.2201
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.02	0.6967	0.6967
Schistosoma mansoni	hypothetical protein	0.0122	0.4085	0.5863
Loa Loa (eye worm)	hypothetical protein	0.0092	0.2952	0.2952
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0071	0.2201	0.2201
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.02	0.6967	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.0594	0.1171
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0526	0.0914
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5281	0.5281
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1756	0.1756
Loa Loa (eye worm)	PHD-finger family protein	0.0035	0.0835	0.0835
Loa Loa (eye worm)	jmjC domain-containing protein	0.0042	0.1106	0.1106
Plasmodium vivax	thioredoxin reductase, putative	0.0057	0.1669	0.5195
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0092	0.2952	1
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0594	0.0594
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0526	0.0914
Loa Loa (eye worm)	hypothetical protein	0.0281	1	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0092	0.2952	0.2952
Schistosoma mansoni	hypothetical protein	0.0154	0.5281	0.7579
Loa Loa (eye worm)	hypothetical protein	0.0226	0.7935	0.7935
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0092	0.2952	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0057	0.1669	1
Echinococcus granulosus	peptidase Clp S14 family	0.006	0.1779	0.1779
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0183	0.6336	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0329	0.0329
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.02	0.6967	0.6967
Trichomonas vaginalis	glutathione reductase, putative	0.002	0.0282	0.5
Brugia malayi	glutathione reductase	0.0057	0.1669	0.1669
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0594	0.1171
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0092	0.2952	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0594	0.1171
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0071	0.2201	0.2201
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0015	0.0087	0.0087
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0594	0.2254
Brugia malayi	latrophilin 2 splice variant baaae	0.0154	0.5281	0.5281
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0035	0.0835	0.0835
Echinococcus granulosus	lysine specific demethylase 5A	0.0042	0.1106	0.1106
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.013	0.4388	0.8837
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0526	0.1759
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0032	0.072	0.164
Brugia malayi	hypothetical protein	0.0122	0.4085	0.4085
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.002	0.0282	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0183	0.6336	0.6336
Entamoeba histolytica	hypothetical protein	0.0122	0.4085	1
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0835	0.2072
Echinococcus multilocularis	survival motor neuron protein 1	0.0281	1	1
Echinococcus multilocularis	peregrin	0.0035	0.0835	0.0835
Onchocerca volvulus		0.0028	0.0594	0.0938
Plasmodium falciparum	phd finger protein, putative	0.0035	0.0835	0.2072
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0092	0.2952	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0042	0.1106	0.1588
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0015	0.0087	0.0087
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0032	0.072	0.164
Onchocerca volvulus	Alhambra homolog	0.0035	0.0835	0.1318
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0122	0.4085	0.4085
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0287	0.001
Brugia malayi	PHD-finger family protein	0.0035	0.0835	0.0835
Schistosoma mansoni	survival motor neuron protein	0.0057	0.1679	0.2409
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0287	0.001
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.013	0.4388	0.8753
Brugia malayi	hypothetical protein	0.0017	0.0179	0.0179
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0071	0.2201	0.2201
Echinococcus granulosus	thioredoxin glutathione reductase	0.0057	0.1669	0.1669
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0071	0.2201	0.2201
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0092	0.2952	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.2201	0.2201
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.0594	0.1171
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0032	0.072	0.164
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0594	0.1171
Loa Loa (eye worm)	cytochrome P450 family protein	0.0035	0.084	0.084
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0329	0.0329
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.0594	0.1171
Echinococcus multilocularis	lysine specific demethylase 5A	0.0042	0.1106	0.1106
Mycobacterium tuberculosis	Probable reductase	0.013	0.4388	0.8837
Toxoplasma gondii	hypothetical protein	0.0032	0.072	0.164
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.0594	0.0673
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0835	0.2072
Echinococcus granulosus	peregrin	0.0035	0.0835	0.0835
Schistosoma mansoni	peptidase Clp (S14 family)	0.0092	0.2952	0.4237
Schistosoma mansoni	hypothetical protein	0.0035	0.0835	0.1199
Schistosoma mansoni	jumonji domain containing protein	0.009	0.29	0.4162
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.006	0.1779	0.2732
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.006	0.1779	0.3221
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.006	0.1779	0.3221
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0122	0.4085	0.4085
Brugia malayi	N-terminal motif family protein	0.0183	0.6336	0.6336
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0226	0.7935	0.7935
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.02	0.6967	0.6967
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0526	0.0914
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.013	0.4388	0.8837
Echinococcus granulosus	PHD finger protein rhinoceros	0.0035	0.0835	0.0835
Entamoeba histolytica	hypothetical protein	0.0122	0.4085	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0042	0.1106	0.1588
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0526	0.0526
Echinococcus multilocularis	GPCR, family 2	0.0071	0.2201	0.2201
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.002	0.0282	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0329	0.0329
Schistosoma mansoni	hypothetical protein	0.0071	0.2201	0.3158
Echinococcus granulosus	survival motor neuron protein 1	0.0281	1	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0021	0.0329	0.0178
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0032	0.072	0.0289
Trypanosoma brucei	trypanothione reductase	0.0057	0.1669	1
Echinococcus granulosus	jumonji domain containing protein	0.0048	0.134	0.134
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0092	0.2952	0.2952
Trichomonas vaginalis	mercuric reductase, putative	0.002	0.0282	0.5
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0329	0.0103
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.02	0.6967	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0287	0.001
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0329	0.0329
Entamoeba histolytica	hypothetical protein	0.0122	0.4085	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0226	0.7935	0.7935
Brugia malayi	Latrophilin receptor protein 2	0.0071	0.2201	0.2201
Loa Loa (eye worm)	thioredoxin reductase	0.0057	0.1669	0.1669
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0594	0.2254
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0092	0.2952	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0092	0.2952	0.544
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0594	0.0594
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.02	0.6967	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0526	0.0914
Brugia malayi	jmjC domain containing protein	0.0042	0.1106	0.1106
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0071	0.2201	0.2201
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.013	0.4388	0.8837
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.02	0.6967	0.6967
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0526	0.1759
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0145	0.4928	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0145	0.4928	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.013	0.4388	0.8837
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0526	0.1759
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0594	0.0594
Plasmodium falciparum	acyl-CoA synthetase	0.0021	0.0329	0.0178
Plasmodium falciparum	thioredoxin reductase	0.0057	0.1669	0.5195
Plasmodium vivax	glutathione reductase, putative	0.0057	0.1669	0.5195
Brugia malayi	Cytochrome P450 family protein	0.0035	0.084	0.084

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	13.1154 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 (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1319269

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1247152