TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 359.434 | Formula: C21H26FNO3
H donors: 3 H acceptors: 3 LogP: 2.81 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)C1(O)CCN(CC1)C(C(c1ccc(cc1C)O)O)C
InChi: 1S/C21H26FNO3/c1-14-13-18(24)7-8-19(14)20(25)15(2)23-11-9-21(26,10-12-23)16-3-5-17(22)6-4-16/h3-8,13,15,20,24-26H,9-12H2,1-2H3
InChiKey: VCXGYXJYTWDMJS-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
Rattus norvegicus	Glutamate [NMDA] receptor subunit epsilon 2	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	glutamate receptor NMDA	Get druggable targets OG5_129290	All targets in OG5_129290
Schistosoma japonicum	ko:K05314 glutamate receptor, ionotropic, N-methyl-D-aspartate 2, invertebrate, putative	Get druggable targets OG5_129290	All targets in OG5_129290
Echinococcus granulosus	glutamate NMDA receptor subunit	Get druggable targets OG5_129290	All targets in OG5_129290
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	Get druggable targets OG5_129290	All targets in OG5_129290

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0129	0.0145	0.1214
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Echinococcus granulosus	rhodopsin orphan GPCR	0.0351	0.0478	0.0478
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0351	0.0478	0.0478
Echinococcus granulosus	rhodopsin orphan GPCR	0.0351	0.0478	0.0478
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Echinococcus multilocularis	g protein coupled receptor	0.0351	0.0478	0.0478
Brugia malayi	Hsp90 protein	0.004	0.0011	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Schistosoma mansoni	glutaminase	0.0272	0.0361	0.0361
Trypanosoma cruzi	heat shock protein 90, putative	0.0115	0.0125	0.7921
Schistosoma mansoni	amine GPCR	0.0351	0.0478	0.0478
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0198	0.5353
Echinococcus granulosus	somatostatin receptor	0.0351	0.0478	0.0478
Brugia malayi	ORL1-like opioid receptor	0.0351	0.0478	0.0915
Schistosoma mansoni	rotamase	0.0066	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Brugia malayi	hypothetical protein	0.0351	0.0478	0.0915
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Onchocerca volvulus		0.0351	0.0478	0.4254
Trichomonas vaginalis	heat shock protein, putative	0.0135	0.0154	0.4093
Brugia malayi	RE15519p	0.0351	0.0478	0.0915
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.0033	0.1513
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0351	0.0478	0.0478
Toxoplasma gondii	peptidylprolyl isomerase	0.0064	0.0048	0.2581
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Echinococcus granulosus	rhodopsin orphan GPCR	0.0351	0.0478	0.0478
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0351	0.0478	0.0478
Trypanosoma cruzi	heat shock protein 85, putative	0.0135	0.0154	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0351	0.0478	0.0915
Echinococcus granulosus	neuropeptide FF receptor 2	0.0351	0.0478	0.0478
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0351	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Loa Loa (eye worm)	hypothetical protein	0.0129	0.0145	0.1302
Echinococcus granulosus	neuropeptide Y receptor	0.0351	0.0478	0.0478
Schistosoma mansoni	opsin-like receptor	0.0351	0.0478	0.0478
Schistosoma mansoni	serine-type protease inhibitor	0.3553	0.529	0.529
Schistosoma mansoni	biogenic amine receptor	0.0351	0.0478	0.0478
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0155	0.0184	0.0184
Echinococcus granulosus	rhodopsin orphan GPCR	0.0351	0.0478	0.0478
Toxoplasma gondii	prolyl endopeptidase	0.0129	0.0145	0.9319
Schistosoma mansoni	amine GPCR	0.0351	0.0478	0.0478
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0064	0.0048	0.2581
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0066	0.005	0.0096
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0328	0.9056
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.0083	0.0076	0.0137
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Trypanosoma brucei	Heat shock protein 83, putative	0.0135	0.0154	1
Plasmodium vivax	endoplasmin, putative	0.0135	0.0154	1
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Trypanosoma cruzi	heat shock protein 85, putative	0.0115	0.0125	0.7921
Onchocerca volvulus		0.0351	0.0478	0.4254
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0351	0.0478	0.0478
Trypanosoma cruzi	oligopeptidase b	0.0051	0.0028	0.1187
Schistosoma mansoni	heat shock protein	0.0135	0.0154	0.0154
Schistosoma mansoni	hypothetical protein	0.0408	0.0564	0.0564
Brugia malayi	latrophilin 2 splice variant baaae	0.0335	0.0454	0.0869
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0351	0.0478	0.4312
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0351	0.0478	0.0478
Trypanosoma brucei	heat shock protein, putative	0.0135	0.0154	1
Schistosoma mansoni	opsin-like receptor	0.0351	0.0478	0.0478
Brugia malayi	G-protein coupled receptor	0.0351	0.0478	0.0915
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0351	0.0478	0.4312
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0351	0.0478	0.0915
Trypanosoma brucei	heat shock protein, putative	0.0135	0.0154	1
Trichomonas vaginalis	heat shock protein, putative	0.0115	0.0125	0.3242
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Echinococcus granulosus	neuropeptide receptor A26	0.0351	0.0478	0.0478
Brugia malayi	G protein-coupled receptor	0.0351	0.0478	0.0915
Trypanosoma cruzi	heat shock protein 90, putative	0.0135	0.0154	1
Echinococcus multilocularis	serotonin receptor	0.0351	0.0478	0.0478
Mycobacterium tuberculosis	3-dehydroquinate dehydratase AroD (AROQ) (3-dehydroquinase) (type II dhqase)	0.2385	0.3536	1
Echinococcus granulosus	g protein coupled receptor	0.0351	0.0478	0.0478
Treponema pallidum	heat shock protein 90	0.0115	0.0125	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0351	0.0478	0.0478
Brugia malayi	hypothetical protein	0.0351	0.0478	0.0915
Trichomonas vaginalis	rotamase, putative	0.0064	0.0048	0.1056
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0051	0.0028	0.1187
Mycobacterium ulcerans	3-dehydroquinate dehydratase	0.2385	0.3536	1
Brugia malayi	hypothetical protein	0.0441	0.0615	0.1176
Trichomonas vaginalis	heat shock protein, putative	0.0115	0.0125	0.3242
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0351	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0328	0.9056
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Trypanosoma cruzi	heat shock protein 85, putative	0.0135	0.0154	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0351	0.0478	0.0478
Brugia malayi	follicle stimulating hormone receptor	0.058	0.0823	0.1574
Echinococcus granulosus	tm gpcr rhodopsin	0.0351	0.0478	0.0478
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0351	0.0478	0.0478
Onchocerca volvulus		0.0351	0.0478	0.4254
Echinococcus granulosus	prolyl endopeptidase	0.0129	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Brugia malayi	hypothetical protein	0.0351	0.0478	0.0915
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0129	0.0145	0.9319
Echinococcus granulosus	glutamate receptor 2	0.0049	0.0025	0.0025
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0273	0.0362	0.0362
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0351	0.0478	0.0478
Echinococcus granulosus	expressed protein	0.0066	0.005	0.005
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0351	0.0478	0.0478
Schistosoma mansoni	neuropeptide f receptor 76f	0.0351	0.0478	0.0478
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0115	0.0125	0.0275
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0198	0.5353
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0049	0.0025	0.0025
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0115	0.0125	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0066	0.005	0.1123
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0351	0.0478	0.0478
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.049	0.0687	0.1314
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0351	0.0478	0.0478
Echinococcus multilocularis	g protein coupled receptor	0.0351	0.0478	0.0478
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0051	0.0028	0.1187
Onchocerca volvulus		0.0351	0.0478	0.4254
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Echinococcus multilocularis	heat shock protein 90	0.0135	0.0154	0.0154
Trichomonas vaginalis	glutaminase, putative	0.0272	0.0361	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0351	0.0478	0.0478
Schistosoma mansoni	adenoreceptor	0.0351	0.0478	0.0478
Onchocerca volvulus		0.0351	0.0478	0.4254
Brugia malayi	Dopamine receptor protein 1	0.0351	0.0478	0.0915
Schistosoma mansoni	heat shock protein	0.004	0.0011	0.0011
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.0212	0.5734
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0351	0.0478	0.0478
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0351	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0184	0.1659
Onchocerca volvulus		0.0351	0.0478	0.4254
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0328	0.9056
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.049	0.0687	0.6192
Brugia malayi	Endoplasmin precursor	0.0135	0.0154	0.0295
Brugia malayi	Dopamine receptor	0.0351	0.0478	0.0915
Schistosoma mansoni	neuropeptide receptor	0.6686	1	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0351	0.0478	0.0478
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0351	0.0478	0.0478
Brugia malayi	putative neuropeptide receptor NPR1	0.0351	0.0478	0.0915
Brugia malayi	Melatonin receptor type 1A	0.0351	0.0478	0.0915
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Trypanosoma brucei	prolyl endopeptidase	0.0129	0.0145	0.9319
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0083	0.0076	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0351	0.0478	0.0478
Loa Loa (eye worm)	heat shock protein 75	0.004	0.0011	0.01
Echinococcus granulosus	dnaJ subfamily B	0.0408	0.0564	0.0564
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0351	0.0478	0.0478
Echinococcus multilocularis	heat shock protein 90	0.0115	0.0125	0.0125
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0351	0.0478	0.0478
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0155	0.0184	0.0184
Brugia malayi	Serotonin receptor	0.0351	0.0478	0.0915
Brugia malayi	putative neuropeptide receptor	0.0351	0.0478	0.0915
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0351	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0351	0.0478	0.0478
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0049	0.0025	0.0025
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0049	0.0025	0.0025
Schistosoma mansoni	hypothetical protein	0.0155	0.0184	0.0184
Echinococcus multilocularis	neuropeptides capa receptor	0.0351	0.0478	0.0478
Echinococcus multilocularis	neuropeptides capa receptor	0.0351	0.0478	0.0478
Echinococcus multilocularis	glutamate receptor 2	0.0049	0.0025	0.0025
Schistosoma mansoni	neuropeptide receptor	0.0351	0.0478	0.0478
Plasmodium falciparum	heat shock protein 90	0.0135	0.0154	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0351	0.0478	0.0478
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0198	0.5353
Echinococcus granulosus	sex peptide receptor	0.0351	0.0478	0.0478
Mycobacterium ulcerans	heat shock protein 90	0.0115	0.0125	0.0275
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0351	0.0478	0.0478
Echinococcus granulosus	dro:myosuppressin receptor	0.0351	0.0478	0.0478
Trypanosoma cruzi	Heat shock protein 83, putative	0.0135	0.0154	1
Trypanosoma brucei	heat shock protein, putative	0.0135	0.0154	1
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0273	0.0362	0.0362
Onchocerca volvulus		0.0351	0.0478	0.4254
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0351	0.0478	0.4312
Loa Loa (eye worm)	melatonin receptor type 1A	0.0351	0.0478	0.4312
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0064	0.0048	0.2581
Brugia malayi	hypothetical protein	0.0351	0.0478	0.0915
Echinococcus multilocularis	orexin receptor type 2	0.0351	0.0478	0.0478
Brugia malayi	hypothetical protein	0.0351	0.0478	0.0915
Onchocerca volvulus	Glucosylceramidase homolog	0.0164	0.0198	0.1704
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Trypanosoma brucei	heat shock protein 90, putative	0.0135	0.0154	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0351	0.0478	0.0478
Onchocerca volvulus		0.0351	0.0478	0.4254
Schistosoma mansoni	glutamate receptor NMDA	0.0273	0.0362	0.0362
Onchocerca volvulus		0.0351	0.0478	0.4254
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0351	0.0478	0.0478
Brugia malayi	sulfakinin receptor protein	0.0351	0.0478	0.0915
Echinococcus granulosus	serotonin receptor	0.0351	0.0478	0.0478
Echinococcus granulosus	hypothetical protein	0.0351	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Loa Loa (eye worm)	neuropeptide F receptor	0.0351	0.0478	0.4312
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0251	0.0328	0.0627
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0115	0.0124	0.0274
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0351	0.0478	0.0478
Trypanosoma brucei	heat shock protein 90, putative	0.0135	0.0154	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0351	0.0478	0.0478
Echinococcus multilocularis	fmrfamide receptor	0.0351	0.0478	0.0478
Echinococcus granulosus	g protein coupled receptor	0.0351	0.0478	0.0478
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0351	0.0478	0.0478
Echinococcus multilocularis	neuropeptide receptor	0.6686	1	1
Onchocerca volvulus		0.0351	0.0478	0.4254
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0115	0.0125	0.0275
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0049	0.0025	0.0025
Echinococcus granulosus	rhodopsin orphan GPCR	0.0351	0.0478	0.0478
Echinococcus granulosus	neuropeptide s receptor	0.0351	0.0478	0.0478
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0351	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0771	0.111	0.111
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0049	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.0043	0.0043
Loa Loa (eye worm)	neuropeptide F receptor	0.0351	0.0478	0.4312
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0351	0.0478	0.0915
Loa Loa (eye worm)	hypothetical protein	0.0441	0.0615	0.5541
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0115	0.0125	0.0125
Onchocerca volvulus		0.0351	0.0478	0.4254
Schistosoma mansoni	neuropeptide F-like receptor	0.0351	0.0478	0.0478
Brugia malayi	GnHR receptor homolog	0.3511	0.5229	1
Echinococcus granulosus	7tm_1 domain containing protein	0.0351	0.0478	0.0478
Brugia malayi	G-protein coupled receptor	0.0351	0.0478	0.0915
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0351	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Schistosoma mansoni	hypothetical protein	0.0155	0.0184	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0771	0.111	1
Schistosoma mansoni	hypothetical protein	0.0155	0.0184	0.0184
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0115	0.0125	0.0125
Brugia malayi	hypothetical protein	0.0351	0.0478	0.0915
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.004	0.0011	0.0011
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0051	0.0028	0.1187
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0051	0.0028	0.1187
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0328	0.9056
Echinococcus granulosus	neuropeptide Y receptor	0.0351	0.0478	0.0478
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0351	0.0478	0.0478
Echinococcus granulosus	neuropeptide receptor	0.0351	0.0478	0.0478
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Brugia malayi	hypothetical protein	0.0351	0.0478	0.0915
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0049	0.0025	0.0025
Loa Loa (eye worm)	G-protein coupled receptor	0.0351	0.0478	0.4312
Onchocerca volvulus		0.0351	0.0478	0.4254
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0351	0.0478	0.0478
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0351	0.0478	0.4254
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0351	0.0478	0.0478
Trypanosoma cruzi	prolyl endopeptidase	0.0129	0.0145	0.9319
Echinococcus multilocularis	g-protein coupled receptor	0.0351	0.0478	0.0478
Schistosoma mansoni	myosin xvIII	0.0351	0.0478	0.0478
Echinococcus multilocularis	Protein lozenge	0.0055	0.0035	0.0035
Loa Loa (eye worm)	glutaminase 2	0.0272	0.0361	0.3252
Loa Loa (eye worm)	heat shock protein 90	0.0135	0.0154	0.139
Echinococcus granulosus	G protein coupled receptor 139	0.0351	0.0478	0.0478
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0351	0.0478	0.0478
Schistosoma mansoni	lozenge	0.0055	0.0035	0.0035
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0351	0.0478	0.0478
Plasmodium falciparum	endoplasmin, putative	0.006	0.0041	0.2079
Onchocerca volvulus		0.0351	0.0478	0.4254
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0049	0.0025	0.0025
Echinococcus granulosus	orexin receptor type 2	0.0351	0.0478	0.0478
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0328	0.9056
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Trichomonas vaginalis	endoplasmin, putative	0.006	0.0041	0.0851
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0351	0.0478	0.0478
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0351	0.0478	0.4312
Brugia malayi	Dopamine receptor protein 2	0.0351	0.0478	0.0915
Echinococcus multilocularis	nmda type glutamate receptor	0.0115	0.0125	0.0125
Brugia malayi	G protein-coupled receptor F59B2.13	0.0351	0.0478	0.0915
Echinococcus granulosus	7TM GPCR rhodopsin	0.0351	0.0478	0.0478
Echinococcus granulosus	neuropeptides capa receptor	0.0351	0.0478	0.0478
Plasmodium vivax	heat shock protein 86, putative	0.0135	0.0154	1
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0351	0.0478	0.0478
Echinococcus granulosus	fmrfamide receptor	0.0351	0.0478	0.0478
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0351	0.0478	0.0478
Onchocerca volvulus		0.0771	0.111	1
Brugia malayi	hypothetical protein	0.0351	0.0478	0.0915
Echinococcus multilocularis	expressed protein	0.0066	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0335	0.0454	0.4094
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0351	0.0478	0.0478
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.004	0.0011	0.0011
Echinococcus granulosus	GPCR family 2	0.0155	0.0184	0.0184
Mycobacterium leprae	3-dehydroquinate dehydratase AroD (AroQ) (3-dehydroquinase) (Type II DHQase)	0.2385	0.3536	1
Trypanosoma brucei	heat shock protein, putative	0.0135	0.0154	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0351	0.0478	0.0478
Trypanosoma cruzi	heat shock protein 85, putative	0.0135	0.0154	1
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Loa Loa (eye worm)	TYRA-2 protein	0.0351	0.0478	0.4312
Schistosoma mansoni	hypothetical protein	0.0351	0.0478	0.0478
Brugia malayi	glutaminase DH11.1	0.0272	0.0361	0.069
Echinococcus multilocularis	g protein coupled receptor	0.0351	0.0478	0.0478
Trypanosoma cruzi	oligopeptidase b	0.0051	0.0028	0.1187
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0064	0.0048	0.2581
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0351	0.0478	0.0478
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0155	0.0184	0.1659
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.0328	0.9056
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0351	0.0478	0.0478
Trypanosoma brucei	heat shock protein, putative	0.0135	0.0154	1
Onchocerca volvulus		0.0441	0.0615	0.5496
Echinococcus granulosus	endoplasmin	0.0115	0.0125	0.0125
Brugia malayi	prolyl oligopeptidase family protein	0.0129	0.0145	0.0276
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Brugia malayi	hypothetical protein	0.0351	0.0478	0.0915
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0155	0.0184	0.0352
Brugia malayi	heat shock protein 90	0.0135	0.0154	0.0295
Schistosoma mansoni	hypothetical protein	0.0351	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Schistosoma mansoni	hypothetical protein	0.0335	0.0454	0.0454
Schistosoma mansoni	amine GPCR	0.0351	0.0478	0.0478
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.0083	0.0076	0.0137
Echinococcus granulosus	heat shock protein 90	0.0115	0.0125	0.0125
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0064	0.0048	0.2581
Echinococcus multilocularis	neuropeptide receptor A26	0.0351	0.0478	0.0478
Echinococcus granulosus	allatostatin A receptor	0.0771	0.111	0.111
Schistosoma mansoni	amine GPCR	0.0351	0.0478	0.0478
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0351	0.0478	0.0478
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.0212	0.5734
Schistosoma mansoni	glutamate receptor NMDA	0.0049	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0441	0.0615	0.5541
Echinococcus multilocularis	sex peptide receptor	0.0351	0.0478	0.0478
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0198	0.5353
Trichomonas vaginalis	rotamase, putative	0.0066	0.005	0.1123
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0198	0.5353
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Echinococcus granulosus	g-protein coupled receptor	0.0351	0.0478	0.0478
Loa Loa (eye worm)	runx1	0.0055	0.0035	0.0311
Trichomonas vaginalis	heat shock protein, putative	0.006	0.0041	0.0851
Trypanosoma brucei	heat shock protein, putative	0.0135	0.0154	1
Toxoplasma gondii	heat shock protein HSP90	0.0135	0.0154	1
Echinococcus multilocularis	endoplasmin	0.0115	0.0125	0.0125
Schistosoma mansoni	neuropeptide receptor	0.0351	0.0478	0.0478
Echinococcus granulosus	g protein coupled receptor	0.0351	0.0478	0.0478
Echinococcus multilocularis	G protein coupled receptor 139	0.6686	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.0351	0.0478	0.0478
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0351	0.0478	0.0478
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0129	0.0145	0.0145
Echinococcus granulosus	tm gpcr rhodopsin	0.0351	0.0478	0.0478
Chlamydia trachomatis	glutamine binding protein	0.0083	0.0076	0.5
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Schistosoma mansoni	biogenic amine receptor	0.0351	0.0478	0.0478
Onchocerca volvulus		0.0351	0.0478	0.4254
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0351	0.0478	0.0478
Echinococcus multilocularis	GPCR, family 2	0.0155	0.0184	0.0184
Echinococcus granulosus	biogenic amine 5HT receptor	0.0351	0.0478	0.0478
Echinococcus granulosus	heat shock protein	0.0135	0.0154	0.0154
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0351	0.0478	0.0478
Brugia malayi	Calcitonin receptor-like protein seb-1	0.049	0.0687	0.1314
Trypanosoma brucei	heat shock protein, putative	0.0135	0.0154	1
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Schistosoma mansoni	amine GPCR	0.0351	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0351	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0351	0.0478	0.0915
Echinococcus multilocularis	heat shock protein	0.0135	0.0154	0.0154
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0066	0.005	0.0454
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0115	0.0125	0.7921
Echinococcus multilocularis	serotonin receptor	0.0351	0.0478	0.0478
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0351	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0351	0.0478	0.0478
Entamoeba histolytica	heat shock protein 90, putative	0.0135	0.0154	1
Toxoplasma gondii	heat shock protein 90, putative	0.0135	0.0154	1
Brugia malayi	neuropeptide F receptor	0.0351	0.0478	0.0915
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0351	0.0478	0.4254
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0155	0.0184	0.0184
Schistosoma mansoni	histamine h1 receptor	0.0351	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0251	0.0328	0.2954
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0351	0.0478	0.0478
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0351	0.0478	0.0478
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0155	0.0184	0.0184
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0198	0.5353
Schistosoma mansoni	endoplasmin	0.0135	0.0154	0.0154
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0351	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Echinococcus multilocularis	neuropeptide s receptor	0.0351	0.0478	0.0478
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0129	0.0145	0.0145
Schistosoma mansoni	hypothetical protein	0.0351	0.0478	0.0478
Schistosoma mansoni	endoplasmin	0.0135	0.0154	0.0154
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0351	0.0478	0.0915
Echinococcus granulosus	tm gpcr rhodopsin	0.0351	0.0478	0.0478
Onchocerca volvulus		0.0351	0.0478	0.4254
Echinococcus multilocularis	prolyl endopeptidase	0.0129	0.0145	0.0145
Brugia malayi	hypothetical protein	0.0351	0.0478	0.0915
Leishmania major	oligopeptidase b	0.0051	0.0028	0.1187
Echinococcus multilocularis	neuropeptide receptor	0.0351	0.0478	0.0478
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0135	0.0154	1
Brugia malayi	Latrophilin receptor protein 2	0.0155	0.0184	0.0352
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0051	0.0028	0.1187
Brugia malayi	neuropeptide F receptor	0.0351	0.0478	0.0915
Trichomonas vaginalis	heat shock protein, putative	0.0115	0.0125	0.3242
Echinococcus multilocularis	allatostatin A receptor	0.0771	0.111	0.111
Schistosoma mansoni	neuropeptide receptor	0.0351	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Schistosoma mansoni	serine-type protease inhibitor	0.3553	0.529	0.529
Loa Loa (eye worm)	hypothetical protein	0.049	0.0687	0.6192
Schistosoma mansoni	neuropeptide F-like receptor	0.0351	0.0478	0.0478
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0049	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Onchocerca volvulus		0.0351	0.0478	0.4254
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0351	0.0478	0.0478
Brugia malayi	Serotonin receptor	0.0351	0.0478	0.0915
Mycobacterium ulcerans	glutaminase	0.0272	0.0361	0.0948
Echinococcus multilocularis	neuropeptide Y receptor	0.0351	0.0478	0.0478
Loa Loa (eye worm)	glutaminase	0.0272	0.0361	0.3252
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.058	0.0823	0.7418
Echinococcus granulosus	nmda type glutamate receptor	0.0115	0.0125	0.0125
Loa Loa (eye worm)	G-protein coupled receptor	0.0351	0.0478	0.4312
Trichomonas vaginalis	glucosylceramidase, putative	0.0164	0.0198	0.5353
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0351	0.0478	0.0915
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Echinococcus granulosus	rhodopsin orphan GPCR	0.0351	0.0478	0.0478
Loa Loa (eye worm)	endoplasmin	0.0135	0.0154	0.139
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0064	0.0048	0.2581
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0351	0.0478	0.0478
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0351	0.0478	0.0478
Schistosoma mansoni	opsin-like receptor	0.0351	0.0478	0.0478
Trypanosoma brucei	heat shock protein, putative	0.0135	0.0154	1
Trypanosoma brucei	oligopeptidase b	0.0051	0.0028	0.1187
Schistosoma mansoni	growth hormone secretagogue receptor	0.0351	0.0478	0.0478
Echinococcus multilocularis	dnaJ subfamily B	0.0408	0.0564	0.0564
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0351	0.0478	0.0478
Trypanosoma cruzi	heat shock protein 90, putative	0.0095	0.0094	0.5818
Brugia malayi	AKH receptor	0.0351	0.0478	0.0915
Echinococcus granulosus	heat shock protein 90	0.0135	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0351	0.0478	0.0478
Entamoeba histolytica	heat shock protein 90, putative	0.0135	0.0154	1
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Schistosoma mansoni	hypothetical protein	0.0155	0.0184	0.0184
Echinococcus multilocularis	somatostatin receptor	0.0351	0.0478	0.0478
Brugia malayi	larval opioid receptor	0.0351	0.0478	0.0915
Schistosoma mansoni	hypothetical protein	0.0351	0.0478	0.0478
Leishmania major	heat shock protein 83-1	0.0135	0.0154	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0351	0.0478	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0351	0.0478	0.4312
Schistosoma mansoni	heat shock protein	0.0135	0.0154	0.0154
Schistosoma mansoni	biogenic amine receptor	0.0351	0.0478	0.0478
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0351	0.0478	0.0478

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 16 nM	Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane	ChEMBL.	17766106
IC50 (binding)	= 16 nM	Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane	ChEMBL.	17766106
IC50 (ADMET)	= 3.9 uM	Displacement of [3H]bufuralol from CYP2D6	ChEMBL.	17766106
IC50 (ADMET)	= 3.9 uM	Displacement of [3H]bufuralol from CYP2D6	ChEMBL.	17766106
Ratio (ADMET)	> 4.5	Ratio of Half life of compound in human liver microsome HHM0168 to half life in human liver microsome HHM0168 in presence of CYP2D6	ChEMBL.	17766106

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL247838

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 459669