TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 408.469 | Formula: C23H25FN4O2
H donors: 1 H acceptors: 3 LogP: 3.49 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCn1c(NC(=O)C2CCN(CC2)C(=O)c2ccc(cc2)F)nc2c1cccc2
InChi: 1S/C23H25FN4O2/c1-2-13-28-20-6-4-3-5-19(20)25-23(28)26-21(29)16-11-14-27(15-12-16)22(30)17-7-9-18(24)10-8-17/h3-10,16H,2,11-15H2,1H3,(H,25,26,29)
InChiKey: WQYIBJYXTPKRCP-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
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Schistosoma mansoni	Thioredoxin glutathione reductase	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	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
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Cryptosporidium parvum	thioredoxin reductase 1	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
Leishmania mexicana	trypanothione 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
Plasmodium berghei	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
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
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Neospora caninum	MGC84926 protein, related	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
Toxoplasma gondii	thioredoxin 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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	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
Plasmodium knowlesi	thioredoxin 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
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Loa Loa (eye worm)	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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
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
Plasmodium knowlesi	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	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 congolense	trypanothione reductase, putative	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 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
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Plasmodium vivax	glutathione 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
Theileria parva	thioredoxin 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
Trypanosoma cruzi	trypanothione 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
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Plasmodium yoelii	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
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium berghei	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	538 aa	25.3 %
Plasmodium knowlesi	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	518 aa	22.0 %
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	Thioredoxin glutathione reductase	598 aa	513 aa	25.0 %
Neospora caninum	glutathione reductase, putative	Thioredoxin glutathione reductase	598 aa	532 aa	34.6 %
Toxoplasma gondii	NADPH-glutathione reductase	Thioredoxin glutathione reductase	598 aa	555 aa	33.5 %
Onchocerca volvulus		Thioredoxin glutathione reductase	598 aa	533 aa	50.8 %
Neospora caninum	Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related	Thioredoxin glutathione reductase	598 aa	512 aa	28.3 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Plasmodium yoelii	dihydrolipoamide dehydrogenase	Thioredoxin glutathione reductase	598 aa	537 aa	24.2 %
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	521 aa	21.5 %
Neospora caninum	hypothetical protein	Thioredoxin glutathione reductase	598 aa	485 aa	30.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	fatty acid amide hydrolase 1	0.1338	1	1
Plasmodium falciparum	alpha/beta hydrolase fold domain containing protein, putative	0.0054	0.0329	0.0424
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0042	0.0062
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0161	0.1138	0.1138
Plasmodium vivax	unspecified product	0.0054	0.0329	0.0424
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.1338	1	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0042	0.0062
Trypanosoma cruzi	Serine peptidase, Clan SC, Family S09X, putative	0.0054	0.0329	0.0483
Brugia malayi	Amidase family protein	0.0161	0.1138	0.1138
Toxoplasma gondii	hypothetical protein	0.0054	0.0329	1
Plasmodium vivax	lysophospholipase, putative	0.0054	0.0329	0.0424
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0054	0.0329	0.0483
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0054	0.0329	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0015	0.0015
Mycobacterium ulcerans	hypothetical protein	0.0054	0.0329	0.0424
Toxoplasma gondii	phospholipase/carboxylesterase	0.0054	0.0329	1
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0329	0.0483
Echinococcus multilocularis	sn1 specific diacylglycerol lipase beta	0.0169	0.1196	0.1196
Loa Loa (eye worm)	lipase	0.0169	0.1196	0.1196
Loa Loa (eye worm)	amidase	0.0161	0.1138	0.1138
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0016	0.0042	0.1279
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0329	0.0329
Plasmodium vivax	PST-A protein	0.0054	0.0329	0.0424
Trypanosoma brucei	trypanothione reductase	0.0046	0.0267	0.0391
Leishmania major	hypothetical protein, conserved	0.0054	0.0329	0.0483
Plasmodium falciparum	esterase, putative	0.0054	0.0329	0.0424
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0015	0.0015
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0015	0.0015
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0015	0.0015
Echinococcus multilocularis	ankyrin repeat protein	0.0701	0.5201	0.5201
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0015	0.0015
Onchocerca volvulus		0.0012	0.0015	0.0124
Trypanosoma brucei	lipase domain protein, putative	0.0169	0.1196	0.1754
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0339	0.0339
Plasmodium falciparum	epoxide hydrolase 2	0.0054	0.0329	0.0424
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0015	0.0015
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0015	0.0015
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0015	0.0015
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0015	0.0015
Plasmodium falciparum	exported lipase 1	0.0054	0.0329	0.0424
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.0042	0.0062
Echinococcus granulosus	monoacylglycerol lipase abhd12	0.0054	0.0329	0.0329
Plasmodium vivax	unspecified product	0.0054	0.0329	0.0424
Echinococcus multilocularis	abhydrolase domain containing 3	0.0054	0.0329	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0015	0.0015
Plasmodium falciparum	lysophospholipase, putative	0.0054	0.0329	0.0424
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0054	0.0329	0.0483
Trichomonas vaginalis	conserved hypothetical protein	0.0916	0.6819	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0015	0.0015
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0015	0.0015
Plasmodium falciparum	BEM46-like protein, putative	0.0054	0.0329	0.0424
Plasmodium vivax	PST-A protein	0.0054	0.0329	0.0424
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0015	0.0015
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0015	0.0015
Trypanosoma cruzi	amidase, putative	0.0161	0.1138	0.167
Brugia malayi	nuclear hormone receptor	0.0012	0.0015	0.0015
Echinococcus multilocularis	monoacylglycerol lipase abhd12	0.0054	0.0329	0.0329
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0339	0.0339
Schistosoma mansoni	coup transcription factor	0.0012	0.0015	0.0015
Leishmania major	hypothetical protein, conserved	0.0169	0.1196	0.1754
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0267	0.0332
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0015	0.0015
Echinococcus granulosus	ankyrin repeat protein	0.0701	0.5201	0.5201
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0015	0.0015
Toxoplasma gondii	hypothetical protein	0.0054	0.0329	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0015	0.0015
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0161	0.1138	0.1618
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0015	0.0015
Schistosoma mansoni	fatty-acid amide hydrolase	0.1338	1	1
Trypanosoma cruzi	amidase, putative	0.0161	0.1138	0.167
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0267	0.8103
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0015	0.0015
Chlamydia trachomatis	hydrolase	0.0054	0.0329	0.262
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0015	0.0015
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0054	0.0329	0.0483
Plasmodium falciparum	prodrug activation and resistance esterase	0.0054	0.0329	0.0424
Trypanosoma brucei	lipase domain protein, putative	0.0169	0.1196	0.1754
Brugia malayi	MGC83647 protein	0.0054	0.0329	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0329	0.0329
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0329	0.0483
Trypanosoma brucei	monoglyceride lipase, putative	0.0916	0.6819	1
Echinococcus granulosus	Phospholipase carboxylesterase	0.0054	0.0329	0.0329
Mycobacterium ulcerans	peptide amidase, GatA	0.0161	0.1138	0.1618
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0015	0.0015
Mycobacterium tuberculosis	Possible lysophospholipase	0.0916	0.6819	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0015	0.0015
Brugia malayi	Protein C20orf22	0.0054	0.0329	0.0329
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0161	0.1138	0.1618
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0042	0.0062
Plasmodium vivax	PST-A protein	0.0054	0.0329	0.0424
Brugia malayi	putative amidase	0.0161	0.1138	0.1138
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0054	0.0329	0.0329
Plasmodium vivax	lysophospholipase, putative	0.0054	0.0329	0.0424
Trichomonas vaginalis	mercuric reductase, putative	0.0016	0.0042	0.0062
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0054	0.0329	1
Trypanosoma cruzi	hydrolase, alpha/beta fold family, putative	0.0054	0.0329	0.0483
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0015	0.0015
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0015	0.0015
Schistosoma mansoni	transient receptor potential channel	0.0011	0.0008	0.0008
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0329	0.0483
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0015	0.0015
Echinococcus multilocularis	Phospholipase carboxylesterase	0.0054	0.0329	0.0329
Toxoplasma gondii	hypothetical protein	0.0054	0.0329	1
Leishmania major	hypothetical protein, conserved	0.0161	0.1138	0.167
Trichomonas vaginalis	lipase containing protein, putative	0.0169	0.1196	0.1754
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.0042	0.0062
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0015	0.0015
Plasmodium vivax	PST-A protein	0.0054	0.0329	0.0424
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0016	0.0042	0.0062
Loa Loa (eye worm)	amidase	0.0161	0.1138	0.1138
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0015	0.0015
Echinococcus granulosus	transient receptor potential cation channel	0.0711	0.5278	0.5278
Echinococcus multilocularis	transient receptor potential cation channel	0.001	0.000000095048	0.000000095048
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.0795	0.0143
Leishmania major	hypothetical protein, conserved	0.0054	0.0329	0.0483
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0329	0.0483
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0329	0.0329
Plasmodium vivax	hypothetical protein, conserved	0.0054	0.0329	0.0424
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0339	0.0339
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0054	0.0329	0.0483
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0161	0.1138	0.1138
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0012	0.0011	0.0011
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0015	0.0015
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0015	0.0124
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0054	0.0329	0.0483
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0054	0.0329	0.0483
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0015	0.0015
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0015	0.0015
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0015	0.0015
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.001	0.000000095048	0.000000095048
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.0708	0.0982
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0054	0.0329	0.0424
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0339	0.0339
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.0708	0.0982
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0329	0.0483
Mycobacterium ulcerans	hypothetical protein	0.0054	0.0329	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0329	0.0329
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0015	0.0015
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.0795	0.1111
Trypanosoma brucei	monoglyceride lipase, putative	0.0916	0.6819	1
Echinococcus granulosus	transient receptor potential cation channel	0.0011	0.0008	0.0008
Schistosoma mansoni	transient receptor potential cation channel subfamily A member	0.0701	0.5201	0.5201
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0015	0.0015
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0015	0.0015
Echinococcus granulosus	transient receptor potential cation channel	0.001	0.000000095048	0.000000095048
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0042	0.0062
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0016	0.0042	0.0062
Trypanosoma cruzi	hypothetical protein, conserved	0.0169	0.1196	0.1754
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0161	0.1138	0.1618
Schistosoma mansoni	transient receptor potential channel	0.001	0.000000095048	0.000000095048
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0015	0.0015
Mycobacterium ulcerans	amidase	0.0161	0.1138	0.1618
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0161	0.1138	0.1618
Echinococcus granulosus	abhydrolase domain containing protein 13	0.0054	0.0329	0.0329
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0015	0.0015
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0015	0.0124
Leishmania major	Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X	0.0054	0.0329	0.0483
Echinococcus multilocularis	short transient receptor potential channel 6	0.0011	0.0008	0.0008
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0012	0.0011	0.0011
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.7297	0.7297
Schistosoma mansoni	fatty-acid amide hydrolase	0.0161	0.1138	0.1138
Chlamydia trachomatis	acyltransferase family protein	0.0054	0.0329	0.262
Plasmodium falciparum	alpha/beta-hydrolase, putative	0.0054	0.0329	0.0424
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0015	0.0015
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.0708	0.0982
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0054	0.0329	0.0483
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0916	0.6819	1
Toxoplasma gondii	phospholipase	0.0054	0.0329	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0008	0.0008
Echinococcus granulosus	abhydrolase domain containing 3	0.0054	0.0329	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0329	0.0329
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0015	0.0015
Trypanosoma cruzi	serine peptidase, putative	0.0054	0.0329	0.0483
Plasmodium falciparum	lysophospholipase, putative	0.0054	0.0329	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0015	0.0015
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0015	0.0015
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0161	0.1138	0.1618
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0161	0.1138	0.1618
Schistosoma mansoni	amidase	0.1338	1	1
Mycobacterium tuberculosis	Probable reductase	0.0104	0.0708	0.0982
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.0708	0.0982
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0161	0.1138	0.1138
Plasmodium falciparum	lysophospholipase, putative	0.0916	0.6819	1
Echinococcus multilocularis	transient receptor potential cation channel	0.0011	0.0008	0.0008
Mycobacterium ulcerans	hypothetical protein	0.0916	0.6819	1
Mycobacterium leprae	PROBABLE AMIDASE AMIC (AMINOHYDROLASE)	0.0161	0.1138	0.0705
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.0042	0.0062
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0916	0.6819	1
Plasmodium falciparum	exported lipase 2	0.0054	0.0329	0.0424
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.0795	0.1111
Echinococcus granulosus	fatty acid amide hydrolase 1	0.1338	1	1
Echinococcus multilocularis	transient receptor potential cation channel	0.0712	0.5286	0.5286
Trypanosoma cruzi	serine peptidase, putative	0.0054	0.0329	0.0483
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0272	0.0272
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0015	0.0015
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.0042	0.0042
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0015	0.0015
Echinococcus granulosus	sn1 specific diacylglycerol lipase beta	0.0169	0.1196	0.1196
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0015	0.0015
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.001	0.000000095048	0.000000095048
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0015	0.0015
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0267	0.0267
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0329	0.0483
Trypanosoma brucei	Serine peptidase, Clan SC, Family S09X	0.0054	0.0329	0.0483
Leishmania major	monoglyceride lipase, putative	0.0916	0.6819	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.0042	0.0062
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0015	0.0015
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0916	0.6819	1
Plasmodium falciparum	lysophospholipase, putative	0.0916	0.6819	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0339	0.0339
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0916	0.6819	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0015	0.0015
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.0054	0.0329	0.0483
Toxoplasma gondii	hypothetical protein	0.0054	0.0329	1
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0161	0.1138	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0042	0.0062
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0015	0.0015
Mycobacterium ulcerans	amidase	0.0161	0.1138	0.1618
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0161	0.1138	0.1138
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0054	0.0329	0.0424
Brugia malayi	ecdysteroid receptor	0.0012	0.0015	0.0015
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0015	0.0015
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0916	0.6819	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.0795	0.1111
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0015	0.0015
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0916	0.6819	1
Onchocerca volvulus		0.0169	0.1196	1
Plasmodium vivax	hypothetical protein, conserved	0.0054	0.0329	0.0424
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0015	0.0015
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0015	0.0015
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.0042	0.0042
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0272	0.0272
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0329	0.0483
Brugia malayi	MGC79044 protein	0.0054	0.0329	0.0329
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.1338	1	1
Mycobacterium ulcerans	amidase	0.0161	0.1138	0.1618
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.0054	0.0329	0.0483
Trypanosoma cruzi	hypothetical protein, conserved	0.0169	0.1196	0.1754
Brugia malayi	glutathione reductase	0.0046	0.0267	0.0267
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0161	0.1138	1
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0329	0.0483
Mycobacterium ulcerans	hydrolase	0.0054	0.0329	0.0424
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0161	0.1138	0.1138
Plasmodium falciparum	lysophospholipase, putative	0.0916	0.6819	1
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0161	0.1138	0.1618
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0015	0.0015
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0267	0.0332
Echinococcus granulosus	short transient receptor potential channel 6	0.0011	0.0008	0.0008
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0016	0.0042	0.0062
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0016	0.0042	0.0042
Trypanosoma cruzi	trypanothione reductase, putative	0.0016	0.0042	0.0062
Trichomonas vaginalis	lipase containing protein, putative	0.0169	0.1196	0.1754
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0042	0.0062
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0054	0.0329	0.0424
Toxoplasma gondii	esterase/lipase/thioesterase domain-containing protein	0.0054	0.0329	1
Toxoplasma gondii	peptidase S15, putative	0.0054	0.0329	1
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0161	0.1138	1
Plasmodium falciparum	esterase, putative	0.0054	0.0329	0.0424
Brugia malayi	Amidase family protein	0.0161	0.1138	0.1138
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.0042	0.0042
Brugia malayi	olfactory channel protein osm-9	0.0011	0.0008	0.0008
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0042	0.0062
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0054	0.0329	1
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0016	0.0042	0.0062
Trichomonas vaginalis	conserved hypothetical protein	0.0916	0.6819	1
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0161	0.1138	0.1618
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0015	0.0015
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.0708	0.0982
Trichomonas vaginalis	Clan SC, family S9, unassigned serine peptidase	0.0054	0.0329	0.0483
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0916	0.6819	1
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A)	0.0161	0.1138	0.0705
Trichomonas vaginalis	glutathione reductase, putative	0.0016	0.0042	0.0062
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.1338	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0015	0.0015
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0054	0.0329	0.0483
Giardia lamblia	Cgi67 serine protease precursor-like protein	0.0054	0.0329	1
Brugia malayi	Lipase family protein	0.0169	0.1196	0.1196
Mycobacterium ulcerans	amidase	0.0161	0.1138	0.1618
Toxoplasma gondii	protein c14orf29, putative	0.0054	0.0329	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0054	0.0329	0.0483
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0916	0.6819	1
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0015	0.0015
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0267	0.0267
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0015	0.0015
Plasmodium vivax	PST-A protein	0.0054	0.0329	0.0424
Brugia malayi	steroid hormone receptor	0.0012	0.0015	0.0015
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0339	0.0339
Schistosoma mansoni	transient receptor potential channel	0.001	0.000000095048	0.000000095048
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0042	0.0062
Schistosoma mansoni	peptidase	0.0054	0.0329	0.0329
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0339	0.0339
Trichomonas vaginalis	conserved hypothetical protein	0.0054	0.0329	0.0483
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0054	0.0329	0.0483
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0054	0.0329	0.0483
Plasmodium vivax	alpha/beta hydrolase, putative	0.0054	0.0329	0.0424
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0015	0.0015
Plasmodium vivax	hypothetical protein, conserved	0.0054	0.0329	0.0424
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0054	0.0329	0.0424
Leishmania major	trypanothione reductase	0.0046	0.0267	0.0391
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0267	0.0332
Plasmodium vivax	alpha/beta hydrolase, putative	0.0054	0.0329	0.0424
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0916	0.6819	1
Plasmodium falciparum	esterase, putative	0.0916	0.6819	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0339	0.0339
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0161	0.1138	0.167
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0015	0.0015
Plasmodium vivax	PST-A protein	0.0916	0.6819	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0015	0.0015
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0015	0.0015
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0267	0.0391
Mycobacterium ulcerans	lysophospholipase	0.0916	0.6819	1
Brugia malayi	Thioredoxin reductase	0.0046	0.0267	0.0267
Plasmodium vivax	lysophospholipase, putative	0.0054	0.0329	0.0424
Mycobacterium ulcerans	amidase	0.0161	0.1138	0.1618
Plasmodium falciparum	glutathione reductase	0.0046	0.0267	0.0332
Trypanosoma cruzi	monoglyceride lipase, putative	0.0916	0.6819	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0015	0.0015
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0015	0.0124
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0054	0.0329	0.0329
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0054	0.0329	0.0424
Toxoplasma gondii	NADPH-glutathione reductase	0.0016	0.0042	0.1279
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0267	0.0332

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	= 7.0795 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 8.9125 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.285 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 for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.3535 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)	18.526 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)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	67.4555 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	141.2538 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	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: CHEMBL1611653

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1459564