TDR Targets

Basic information

Technical information

TDR Targets ID: 1338876
Name: N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3,5- dimethyl-1,2-oxazol-4-yl)sulfonyl-(4-ethoxyph enyl)amino]acetamide
MW: 487.526 | Formula: C23H25N3O7S
H donors: 1 H acceptors: 4 LogP: 2.83 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)N(S(=O)(=O)c1c(C)noc1C)CC(=O)Nc1ccc2c(c1)OCCO2
InChi: 1S/C23H25N3O7S/c1-4-30-19-8-6-18(7-9-19)26(34(28,29)23-15(2)25-33-16(23)3)14-22(27)24-17-5-10-20-21(13-17)32-12-11-31-20/h5-10,13H,4,11-12,14H2,1-3H3,(H,24,27)
InChiKey: XLULZGUPCZTUOV-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

N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3,5-dimethylisoxazol-4-yl)sulfonyl-(4-ethoxyphenyl)amino]acetamide
N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl-(4-ethoxyphenyl)amino]acetamide
N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-(4-ethoxyphenyl)amino]ethanamide
SMR000094344
MLS000117394
MLS000878375

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Bacillus anthracis	Anthrax lethal factor	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.036	0.2925
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0246	0.1167	1
Echinococcus multilocularis	sex peptide receptor	0.0104	0.0359	0.034
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Schistosoma mansoni	glycogen phosphorylase	0.0569	0.3008	0.6663
Echinococcus multilocularis	fmrfamide receptor	0.0104	0.0359	0.034
Echinococcus granulosus	neuropeptides capa receptor	0.0104	0.0359	0.034
Entamoeba histolytica	glycogen phosphorylase, putative	0.0569	0.3008	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.0426	0.6149
Schistosoma mansoni	growth hormone secretagogue receptor	0.0104	0.0359	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Echinococcus granulosus	hexokinase	0.0048	0.0041	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0104	0.0359	0.034
Schistosoma mansoni	biogenic amine receptor	0.0104	0.0359	0.0795
Treponema pallidum	sodium- and chloride- dependent transporter	0.0155	0.0649	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0104	0.0359	0.0795
Brugia malayi	putative neuropeptide receptor NPR1	0.0104	0.0359	0.1004
Echinococcus granulosus	tm gpcr rhodopsin	0.0104	0.0359	0.034
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0104	0.0359	0.1193
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0104	0.0359	0.034
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0026	0.0087
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0104	0.0359	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0649	0.2157
Echinococcus granulosus	orexin receptor type 2	0.0104	0.0359	0.034
Echinococcus granulosus	hexokinase	0.0048	0.0041	0.0021
Onchocerca volvulus		0.0104	0.0359	0.1072
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0104	0.0359	0.1004
Echinococcus multilocularis	neuropeptide s receptor	0.0104	0.0359	0.034
Echinococcus granulosus	7tm_1 domain containing protein	0.0104	0.0359	0.034
Schistosoma mansoni	hexokinase	0.0048	0.0041	0.009
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0104	0.0359	0.1072
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0158	0.0663	0.1469
Loa Loa (eye worm)	glycogen phosphorylase	0.0569	0.3008	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0104	0.0359	0.0795
Echinococcus granulosus	somatostatin receptor	0.0104	0.0359	0.034
Brugia malayi	sulfakinin receptor protein	0.0415	0.2133	0.5966
Loa Loa (eye worm)	hypothetical protein	0.0415	0.2133	0.7091
Schistosoma mansoni	neuropeptide receptor	0.0104	0.0359	0.0795
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.4514	0.4503
Brugia malayi	Dopamine receptor protein 1	0.0104	0.0359	0.1004
Mycobacterium ulcerans	thymidylate synthase	0.0158	0.0663	0.5133
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0075	0.0193	0.171
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Echinococcus multilocularis	G protein coupled receptor 139	0.0104	0.0359	0.034
Schistosoma mansoni	neuropeptide F-like receptor	0.0104	0.0359	0.0795
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0246	0.1167	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.0426	0.3507
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0104	0.0359	0.034
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0104	0.0359	0.0795
Echinococcus granulosus	dro:myosuppressin receptor	0.0104	0.0359	0.034
Onchocerca volvulus		0.0104	0.0359	0.1072
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0076	0.0197	0.0177
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0104	0.0359	0.0795
Echinococcus multilocularis	glycogen phosphorylase	0.0569	0.3008	0.2994
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0104	0.0359	0.1004
Echinococcus multilocularis	neuropeptide receptor	0.0104	0.0359	0.034
Echinococcus multilocularis	thymidylate synthase	0.0158	0.0663	0.0645
Echinococcus granulosus	hexokinase	0.0048	0.0041	0.0021
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0104	0.0359	0.034
Echinococcus multilocularis	geminin	0.0205	0.0932	0.0913
Onchocerca volvulus		0.0104	0.0359	0.1072
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.4514	1
Schistosoma mansoni	neuropeptide receptor	0.0104	0.0359	0.0795
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.4514	0.4503
Loa Loa (eye worm)	G-protein coupled receptor	0.0104	0.0359	0.1193
Echinococcus granulosus	neuropeptide FF receptor 2	0.0104	0.0359	0.034
Schistosoma mansoni	opsin-like receptor	0.0104	0.0359	0.0795
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0197	0.2563
Echinococcus granulosus	neuropeptide receptor	0.0104	0.0359	0.034
Echinococcus multilocularis	neuropeptide Y receptor	0.0104	0.0359	0.034
Schistosoma mansoni	biogenic amine receptor	0.0104	0.0359	0.0795
Schistosoma mansoni	hypothetical protein	0.0205	0.0932	0.2064
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0076	0.0197	0.1699
Entamoeba histolytica	hexokinase 2	0.0048	0.0041	0.0069
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0197	0.0627
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0104	0.0359	0.034
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0104	0.0359	0.034
Brugia malayi	RE15519p	0.0104	0.0359	0.1004
Brugia malayi	Serotonin receptor	0.0668	0.3575	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0104	0.0359	0.0795
Echinococcus granulosus	thymidylate synthase	0.0158	0.0663	0.0645
Echinococcus granulosus	neuropeptides capa receptor	0.0104	0.0359	0.034
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.036	0.2925
Trypanosoma cruzi	hexokinase, putative	0.0048	0.0041	0.0205
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0104	0.0359	0.0795
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0104	0.0359	0.1072
Schistosoma mansoni	neuropeptide receptor	0.0104	0.0359	0.0795
Echinococcus multilocularis	orexin receptor type 2	0.0104	0.0359	0.034
Echinococcus granulosus	glycogen phosphorylase	0.0569	0.3008	0.2994
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0104	0.0359	0.0795
Brugia malayi	neuropeptide F receptor	0.0104	0.0359	0.1004
Loa Loa (eye worm)	norepinephrine transporter	0.0155	0.0649	0.2157
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0026	0.0006
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0155	0.0649	0.1815
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0104	0.0359	0.034
Loa Loa (eye worm)	hexokinase type II	0.0048	0.0041	0.0135
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0222	0.1029	1
Echinococcus multilocularis	fmrfamide receptor	0.0104	0.0359	0.034
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0566	0.299	0.6624
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0197	0.0226
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0197	0.1699
Schistosoma mansoni	neuropeptide F-like receptor	0.0104	0.0359	0.0795
Schistosoma mansoni	hypothetical protein	0.0104	0.0359	0.0795
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0222	0.1029	1
Loa Loa (eye worm)	serotonin transporter b	0.0155	0.0649	0.2157
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Echinococcus granulosus	hexokinase type 2	0.0048	0.0041	0.0021
Echinococcus granulosus	g protein coupled receptor	0.0104	0.0359	0.034
Echinococcus multilocularis	conserved hypothetical protein	0.0847	0.4589	0.4578
Echinococcus granulosus	rhodopsin orphan GPCR	0.0104	0.0359	0.034
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0109	0.0361
Loa Loa (eye worm)	neuropeptide F receptor	0.0104	0.0359	0.1193
Echinococcus granulosus	biogenic amine 5HT receptor	0.0566	0.299	0.2976
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0104	0.0359	0.0795
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0104	0.0359	0.1004
Loa Loa (eye worm)	dihydrofolate reductase	0.0064	0.0132	0.0437
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0104	0.0359	0.0795
Brugia malayi	hypothetical protein	0.0104	0.0359	0.1004
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0104	0.0359	0.034
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0158	0.0663	1
Brugia malayi	hypothetical protein	0.0104	0.0359	0.1004
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0064	0.0132	0.0924
Schistosoma mansoni	sodium/chloride dependent transporter	0.0155	0.0649	0.1437
Schistosoma mansoni	hypothetical protein	0.0104	0.0359	0.0795
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0109	0.0304
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0104	0.0359	0.1193
Brugia malayi	Melatonin receptor type 1A	0.0104	0.0359	0.1004
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.0048	0.0028
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0104	0.036	0.5071
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0104	0.0359	0.034
Brugia malayi	Thioredoxin reductase	0.0046	0.0026	0.0073
Echinococcus granulosus	allatostatin A receptor	0.0104	0.0359	0.034
Echinococcus granulosus	rhodopsin orphan GPCR	0.0104	0.0359	0.034
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0649	0.2157
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0104	0.0359	0.0795
Loa Loa (eye worm)	thymidylate synthase	0.0158	0.0663	0.2205
Brugia malayi	G protein-coupled receptor F59B2.13	0.0104	0.0359	0.1004
Entamoeba histolytica	glycogenphosphorylase, putative	0.0246	0.1167	0.384
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0104	0.0359	0.034
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0155	0.0649	0.2157
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Brugia malayi	hypothetical protein	0.0104	0.0359	0.1004
Echinococcus multilocularis	serotonin receptor	0.0254	0.121	0.1193
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0222	0.1029	1
Echinococcus multilocularis	serotonin receptor	0.0254	0.121	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Schistosoma mansoni	amine GPCR	0.0104	0.0359	0.0795
Schistosoma mansoni	myosin xvIII	0.0104	0.0359	0.0795
Brugia malayi	Dopamine receptor protein 2	0.0104	0.0359	0.1004
Loa Loa (eye worm)	hypothetical protein	0.006	0.0109	0.0361
Echinococcus multilocularis	g protein coupled receptor	0.0104	0.0359	0.034
Echinococcus multilocularis	g protein coupled receptor	0.0104	0.0359	0.034
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.0197	0.1699
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.036	0.2925
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0569	0.3008	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0467	0.2426	0.5375
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0222	0.1029	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Onchocerca volvulus		0.0158	0.0663	0.2098
Onchocerca volvulus		0.0104	0.0359	0.1072
Loa Loa (eye worm)	hypothetical protein	0.0254	0.121	0.4023
Trypanosoma cruzi	hexokinase, putative	0.0048	0.0041	0.0205
Brugia malayi	GnHR receptor homolog	0.0104	0.0359	0.1004
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0026	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Onchocerca volvulus		0.0104	0.0359	0.1072
Echinococcus granulosus	g protein coupled receptor	0.0104	0.0359	0.034
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Schistosoma mansoni	amine GPCR	0.0104	0.0359	0.0795
Brugia malayi	hypothetical protein	0.0104	0.0359	0.1004
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Echinococcus multilocularis	neuropeptides capa receptor	0.0104	0.0359	0.034
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.0426	0.3507
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.1796	1	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0155	0.0649	0.1437
Schistosoma mansoni	neuropeptide f receptor 76f	0.0104	0.0359	0.0795
Echinococcus granulosus	tm gpcr rhodopsin	0.112	0.6147	0.614
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0026	0.0087
Schistosoma mansoni	peptidase Clp (S14 family)	0.0076	0.0197	0.0435
Echinococcus granulosus	g protein coupled receptor	0.0104	0.0359	0.034
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0197	0.0653
Brugia malayi	hypothetical protein	0.0104	0.0359	0.1004
Onchocerca volvulus		0.0104	0.0359	0.1072
Echinococcus granulosus	7TM GPCR rhodopsin	0.0104	0.0359	0.034
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0026	0.0061
Onchocerca volvulus		0.0104	0.0359	0.1072
Echinococcus multilocularis	allatostatin A receptor	0.0104	0.0359	0.034
Entamoeba histolytica	hexokinase 1	0.0048	0.0041	0.0069
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0104	0.0359	0.034
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0104	0.0359	0.034
Brugia malayi	hypothetical protein	0.0104	0.0359	0.1004
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0104	0.0359	0.034
Onchocerca volvulus		0.0104	0.0359	0.1072
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0104	0.0359	0.034
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0104	0.0359	0.034
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0104	0.0359	0.034
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0569	0.3008	0.2994
Schistosoma mansoni	hypothetical protein	0.0205	0.0932	0.2064
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0649	0.2157
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0104	0.0359	0.0795
Echinococcus multilocularis	hexokinase	0.0048	0.0041	0.0021
Schistosoma mansoni	adenoreceptor	0.0104	0.0359	0.0795
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0566	0.299	0.2976
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0076	0.0197	0.0177
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0104	0.0359	0.0795
Echinococcus granulosus	g-protein coupled receptor	0.0104	0.0359	0.034
Echinococcus granulosus	rhodopsin orphan GPCR	0.0104	0.0359	0.034
Loa Loa (eye worm)	neuropeptide F receptor	0.0104	0.0359	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0104	0.0359	0.034
Onchocerca volvulus		0.0104	0.0359	0.1072
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Loa Loa (eye worm)	hexokinase	0.0048	0.0041	0.0135
Echinococcus multilocularis	g-protein coupled receptor	0.0104	0.0359	0.034
Echinococcus multilocularis	neuropeptides capa receptor	0.0104	0.0359	0.034
Brugia malayi	Dopamine receptor	0.0104	0.0359	0.1004
Brugia malayi	hexokinase	0.0048	0.0041	0.0114
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0104	0.0359	0.0795
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0104	0.0359	0.034
Chlamydia trachomatis	glycogen phosphorylase	0.0569	0.3008	1
Echinococcus multilocularis	dihydrofolate reductase	0.0064	0.0132	0.0112
Onchocerca volvulus		0.0104	0.0359	0.1072
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0104	0.0359	0.0795
Onchocerca volvulus		0.0155	0.0649	0.205
Echinococcus granulosus	neuropeptide Y receptor	0.0104	0.0359	0.034
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0569	0.3008	1
Brugia malayi	hypothetical protein	0.0104	0.0359	0.1004
Onchocerca volvulus		0.0104	0.0359	0.1072
Brugia malayi	larval opioid receptor	0.0104	0.0359	0.1004
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Echinococcus granulosus	glycogen phosphorylase	0.0569	0.3008	0.2994
Leishmania major	hexokinase, putative	0.0048	0.0041	0.0205
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0104	0.0359	0.1193
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0222	0.1029	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0254	0.121	0.1193
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0045	0.002	0.0044
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0104	0.0359	0.034
Leishmania major	trypanothione reductase	0.0046	0.0026	0.0061
Brugia malayi	hypothetical protein	0.0075	0.0193	0.0539
Plasmodium falciparum	hexokinase	0.0048	0.0041	0.0145
Echinococcus granulosus	neuropeptide receptor	0.0104	0.0359	0.034
Entamoeba histolytica	glycogen phosphorylase, putative	0.0569	0.3008	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0104	0.0359	0.0795
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0104	0.0359	0.034
Brugia malayi	AKH receptor	0.0104	0.0359	0.1004
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0109	0.0304
Brugia malayi	Hexokinase family protein	0.0048	0.0041	0.0114
Echinococcus multilocularis	g protein coupled receptor	0.0104	0.0359	0.034
Toxoplasma gondii	hexokinase	0.0048	0.0041	0.0145
Onchocerca volvulus		0.0104	0.0359	0.1072
Loa Loa (eye worm)	hexokinase	0.0048	0.0041	0.0135
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.0048	0.0192
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.0197	0.1699
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.0426	0.3507
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.0048	0.0192
Schistosoma mansoni	hypothetical protein	0.0104	0.0359	0.0795
Brugia malayi	thymidylate synthase	0.0158	0.0663	0.1855
Echinococcus granulosus	sex peptide receptor	0.0104	0.0359	0.034
Loa Loa (eye worm)	hypothetical protein	0.0467	0.2426	0.8066
Brugia malayi	ORL1-like opioid receptor	0.0104	0.0359	0.1004
Echinococcus multilocularis	hexokinase	0.0048	0.0041	0.0021
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.0048	0.0028
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.5345	0.5336
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0197	0.5
Brugia malayi	dihydrofolate reductase family protein	0.0064	0.0132	0.0368
Brugia malayi	Probable ClpP-like protease	0.0076	0.0197	0.055
Loa Loa (eye worm)	hypothetical protein	0.0045	0.002	0.0066
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0104	0.0359	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0076	0.0197	0.2414
Echinococcus multilocularis	hexokinase type 2	0.0048	0.0041	0.0021
Echinococcus granulosus	rhodopsin orphan GPCR	0.0104	0.0359	0.034
Echinococcus multilocularis	neuropeptide receptor	0.0104	0.0359	0.034
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Echinococcus granulosus	serotonin transporter	0.0155	0.0649	0.063
Loa Loa (eye worm)	TYRA-2 protein	0.0104	0.0359	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0254	0.121	0.4023
Onchocerca volvulus		0.0104	0.0359	0.1072
Schistosoma mansoni	neuropeptide receptor	0.0104	0.0359	0.0795
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.036	0.2925
Echinococcus granulosus	neuropeptide Y receptor	0.0104	0.0359	0.034
Entamoeba histolytica	glycogen phosphorylase, putative	0.0246	0.1167	0.384
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0104	0.0359	0.034
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0045	0.002	0.0056
Brugia malayi	G-protein coupled receptor	0.0104	0.0359	0.1004
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Schistosoma mansoni	hypothetical protein	0.0104	0.0359	0.0795
Brugia malayi	follicle stimulating hormone receptor	0.0104	0.0359	0.1004
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Schistosoma mansoni	opsin-like receptor	0.0104	0.0359	0.0795
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0104	0.0359	0.1004
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Leishmania major	hexokinase, putative	0.0048	0.0041	0.0205
Brugia malayi	G-protein coupled receptor	0.0104	0.0359	0.1004
Trypanosoma brucei	hexokinase	0.0048	0.0041	0.0205
Echinococcus granulosus	neuropeptide receptor A26	0.0104	0.0359	0.034
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0104	0.0359	0.0795
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0569	0.3008	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0104	0.0359	0.034
Brugia malayi	putative neuropeptide receptor	0.0104	0.0359	0.1004
Trypanosoma brucei	hexokinase, putative	0.0048	0.0041	0.0205
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0197	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0467	0.2426	0.8066
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0045	0.002	0.0044
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0104	0.0359	0.0795
Schistosoma mansoni	dihydrofolate reductase	0.0064	0.0132	0.0291
Echinococcus granulosus	neuropeptide s receptor	0.0104	0.0359	0.034
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Echinococcus multilocularis	neuropeptide Y receptor	0.0104	0.0359	0.034
Echinococcus multilocularis	hexokinase	0.0048	0.0041	0.0021
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0104	0.0359	0.034
Echinococcus multilocularis	dro:myosuppressin receptor	0.0104	0.0359	0.034
Schistosoma mansoni	amine GPCR	0.0104	0.0359	0.0795
Brugia malayi	glutathione reductase	0.0046	0.0026	0.0073
Trichomonas vaginalis	conserved hypothetical protein	0.0075	0.0193	0.0578
Loa Loa (eye worm)	G-protein coupled receptor	0.0104	0.0359	0.1193
Schistosoma mansoni	glycogen phosphorylase	0.0569	0.3008	0.6663
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0222	0.1029	1
Onchocerca volvulus		0.0104	0.0359	0.1072
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0104	0.0359	0.0795
Brugia malayi	Serotonin receptor	0.0104	0.0359	0.1004
Echinococcus multilocularis	somatostatin receptor	0.0104	0.0359	0.034
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0104	0.0359	0.1004
Mycobacterium tuberculosis	Hypothetical protein	0.0075	0.0193	0.1459
Plasmodium vivax	hexokinase, putative	0.0048	0.0041	0.0145
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0104	0.0359	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Trypanosoma brucei	hexokinase	0.0048	0.0041	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Brugia malayi	G protein-coupled receptor	0.0104	0.0359	0.1004
Schistosoma mansoni	histamine h1 receptor	0.0104	0.0359	0.0795
Echinococcus multilocularis	serotonin transporter	0.0155	0.0649	0.063
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0467	0.2426	0.6787
Echinococcus granulosus	geminin	0.0205	0.0932	0.0913
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0104	0.0359	0.034
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0104	0.0359	0.0795
Echinococcus granulosus	dihydrofolate reductase	0.0064	0.0132	0.0112
Brugia malayi	carbohydrate phosphorylase	0.0569	0.3008	0.8414
Schistosoma mansoni	opsin-like receptor	0.0104	0.0359	0.0795
Echinococcus granulosus	G protein coupled receptor 139	0.0104	0.0359	0.034
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0064	0.0132	0.1358
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0104	0.0359	0.034
Echinococcus granulosus	rhodopsin orphan GPCR	0.0104	0.0359	0.034
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Schistosoma mansoni	biogenic amine receptor	0.0104	0.0359	0.0795
Schistosoma mansoni	amine GPCR	0.0104	0.0359	0.0795
Giardia lamblia	Glycogen phosphorylase	0.0569	0.3008	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.112	0.6147	0.614
Onchocerca volvulus		0.0104	0.0359	0.1072
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.036	0.2925
Echinococcus granulosus	hypothetical protein	0.0951	0.5183	0.5173
Echinococcus granulosus	rhodopsin orphan GPCR	0.0104	0.0359	0.034
Echinococcus granulosus	fmrfamide receptor	0.0104	0.0359	0.034
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Onchocerca volvulus		0.0104	0.0359	0.1072
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0254	0.121	0.2681
Brugia malayi	hypothetical protein	0.0104	0.0359	0.1004
Loa Loa (eye worm)	melatonin receptor type 1A	0.0104	0.0359	0.1193
Schistosoma mansoni	glycogen phosphorylase	0.0246	0.1167	0.2586
Echinococcus multilocularis	glycogen phosphorylase	0.0569	0.3008	0.2994
Schistosoma mansoni	amine GPCR	0.0104	0.0359	0.0795
Trypanosoma brucei	trypanothione reductase	0.0046	0.0026	0.0061
Echinococcus multilocularis	neuropeptide receptor A26	0.0104	0.0359	0.034
Echinococcus granulosus	Glycosyl transferase family 35	0.0569	0.3008	0.2994
Entamoeba histolytica	glycogen phosphorylase, putative	0.0246	0.1167	0.384
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Brugia malayi	hypothetical protein	0.0104	0.0359	0.1004
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.0197	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0104	0.0359	0.034
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0158	0.0663	0.5583
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0104	0.0359	0.034
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0104	0.0359	0.0795
Onchocerca volvulus		0.0104	0.0359	0.1072
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0104	0.0359	0.034
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0359	0.1193
Mycobacterium tuberculosis	Probable reductase	0.0104	0.036	0.2925
Echinococcus granulosus	serotonin receptor	0.0104	0.0359	0.034
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0104	0.0359	0.034
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0104	0.0359	0.034
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0104	0.0359	0.0795
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0104	0.0359	0.034
Brugia malayi	neuropeptide F receptor	0.0104	0.0359	0.1004
Brugia malayi	hypothetical protein	0.0415	0.2133	0.5966
Brugia malayi	Dihydrofolate reductase	0.0064	0.0132	0.0368

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 50 uM	PUBCHEM_BIOASSAY: Factor XIIa 1536 HTS Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID800]	ChEMBL.	No reference
Potency (functional)	= 3.5481 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)	= 5.0119 um	PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3564 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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	50.1187 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

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: CHEMBL1488509

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1338876