TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 436.931 | Formula: C25H25ClN2O3
H donors: 2 H acceptors: 1 LogP: 4.97 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1c1ccccc1Cl)N[C@H]1COC(O[C@H]1c1ccccc1)(C)C
InChi: 1S/C25H25ClN2O3/c1-25(2)30-16-22(23(31-25)17-10-4-3-5-11-17)28-24(29)27-21-15-9-7-13-19(21)18-12-6-8-14-20(18)26/h3-15,22-23H,16H2,1-2H3,(H2,27,28,29)/t22-,23-/m0/s1
InChiKey: GPIDRYQYTAYCQK-GOTSBHOMSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	hypocretin (orexin) receptor 2	Starlite/ChEMBL	References
Homo sapiens	hypocretin (orexin) receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	neuropeptide receptor	Get druggable targets OG5_127863	All targets in OG5_127863
Echinococcus multilocularis	neuropeptide receptor	Get druggable targets OG5_127863	All targets in OG5_127863
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Get druggable targets OG5_127863	All targets in OG5_127863
Echinococcus granulosus	neuropeptide receptor	Get druggable targets OG5_127863	All targets in OG5_127863
Echinococcus multilocularis	G protein coupled receptor 139	Get druggable targets OG5_127863	All targets in OG5_127863

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	sex peptide receptor	hypocretin (orexin) receptor 1	425 aa	350 aa	23.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0041	0.0092	0.0092
Brugia malayi	neuropeptide F receptor	0.0041	0.0092	0.0126
Brugia malayi	hypothetical protein	0.0041	0.0092	0.0126
Onchocerca volvulus	Pyruvate kinase homolog	0.006	0.0401	0.0547
Brugia malayi	follicle stimulating hormone receptor	0.0041	0.0092	0.0126
Onchocerca volvulus		0.0041	0.0092	0.0126
Brugia malayi	RE15519p	0.0041	0.0092	0.0126
Brugia malayi	hypothetical protein	0.0069	0.0554	0.0756
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0082	0.0774	0.0688
Onchocerca volvulus		0.0486	0.7325	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0108	0.0108
Entamoeba histolytica	hypothetical protein	0.0069	0.0554	0.7734
Trichomonas vaginalis	alpha-glucosidase, putative	0.0077	0.0684	0.2028
Echinococcus multilocularis	chromobox protein 1	0.0062	0.0443	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Onchocerca volvulus		0.0041	0.0092	0.0126
Plasmodium falciparum	amino acid transporter, putative	0.0082	0.0774	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0082	0.0774	0.1056
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0774	0.0774
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Brugia malayi	hypothetical protein	0.0041	0.0092	0.0126
Entamoeba histolytica	hypothetical protein	0.0069	0.0554	0.7734
Onchocerca volvulus		0.0243	0.3373	0.4604
Echinococcus multilocularis	chromobox protein 1	0.0062	0.0443	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0774	0.0774
Loa Loa (eye worm)	neuropeptide F receptor	0.0041	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0082	0.0774	0.1056
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0082	0.0774	0.0688
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Echinococcus multilocularis	serotonin receptor	0.0651	1	1
Onchocerca volvulus		0.0041	0.0092	0.0126
Brugia malayi	hypothetical protein	0.0041	0.0092	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Onchocerca volvulus	Pyruvate kinase homolog	0.006	0.0401	0.0547
Onchocerca volvulus		0.0041	0.0092	0.0126
Brugia malayi	Serotonin receptor	0.0041	0.0092	0.0126
Brugia malayi	Dopamine receptor protein 2	0.0041	0.0092	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0774	0.0774
Brugia malayi	putative neuropeptide receptor NPR1	0.0041	0.0092	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0082	0.0774	0.0688
Brugia malayi	AKH receptor	0.0041	0.0092	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Onchocerca volvulus		0.0082	0.0774	0.1056
Trypanosoma brucei	glucosidase, putative	0.0077	0.0684	1
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0082	0.0774	1
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0082	0.0774	0.0688
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Brugia malayi	ORL1-like opioid receptor	0.0041	0.0092	0.0126
Schistosoma mansoni	sodium/chloride dependent transporter	0.0082	0.0774	0.0688
Onchocerca volvulus		0.0041	0.0092	0.0126
Treponema pallidum	sodium- and chloride- dependent transporter	0.0486	0.7325	0.5
Echinococcus granulosus	neuropeptide receptor	0.0164	0.2097	0.2023
Onchocerca volvulus		0.0041	0.0092	0.0126
Trichomonas vaginalis	chromobox protein, putative	0.0062	0.0443	0.1315
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0082	0.0774	0.0688
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0347	0.5067	0.5067
Brugia malayi	hypothetical protein	0.0082	0.0774	0.1056
Brugia malayi	hypothetical protein	0.0041	0.0092	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0486	0.7325	0.7325
Loa Loa (eye worm)	norepinephrine transporter	0.0486	0.7325	0.7325
Loa Loa (eye worm)	hypothetical protein	0.0486	0.7325	0.7325
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0322	0.0322
Brugia malayi	sulfakinin receptor protein	0.0041	0.0092	0.0126
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0082	0.0774	0.0688
Loa Loa (eye worm)	hypothetical protein	0.006	0.0401	0.0401
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0082	0.0774	0.0774
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Onchocerca volvulus		0.0041	0.0092	0.0126
Onchocerca volvulus		0.0041	0.0092	0.0126
Brugia malayi	larval opioid receptor	0.0041	0.0092	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0651	1	1
Loa Loa (eye worm)	hypothetical protein	0.0651	1	1
Onchocerca volvulus		0.0041	0.0092	0.0126
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0347	0.5067	0.5021
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0082	0.0774	0.1056
Loa Loa (eye worm)	pyruvate kinase	0.006	0.0401	0.0401
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0077	0.0684	0.2028
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.006	0.0401	0.5
Schistosoma mansoni	chromobox protein	0.0062	0.0443	0.0355
Brugia malayi	hypothetical protein	0.0041	0.0092	0.0126
Onchocerca volvulus		0.0082	0.0774	0.1056
Trichomonas vaginalis	chromobox protein, putative	0.0037	0.0043	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0041	0.0092	0.0126
Schistosoma mansoni	pyruvate kinase	0.006	0.0401	0.0311
Schistosoma mansoni	alpha glucosidase	0.0077	0.0684	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Echinococcus multilocularis	tumor protein p63	0.0373	0.5497	0.5455
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Brugia malayi	Dopamine receptor protein 1	0.0041	0.0092	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Schistosoma mansoni	chromobox protein	0.0062	0.0443	0.0355
Brugia malayi	hypothetical protein	0.0041	0.0092	0.0126
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0041	0.0092	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Echinococcus granulosus	neutral alpha glucosidase AB	0.0077	0.0684	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Echinococcus granulosus	lysosomal alpha glucosidase	0.0347	0.5067	0.5021
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0486	0.7325	1
Echinococcus multilocularis	G protein coupled receptor 139	0.0164	0.2097	0.2023
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0041	0.0092	0.0126
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0077	0.0684	0.0934
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0082	0.0774	0.0688
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0041	0.0092	0.0126
Trypanosoma cruzi	hypothetical protein, conserved	0.0077	0.0684	1
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0486	0.7325	0.7325
Schistosoma mansoni	neuropeptide receptor	0.0164	0.2097	0.2023
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0077	0.0684	0.7596
Plasmodium vivax	amine transporter, putative	0.0082	0.0774	1
Loa Loa (eye worm)	TYRA-2 protein	0.0041	0.0092	0.0092
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0041	0.0096	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0213	0.2895	0.2895
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0082	0.0774	1
Brugia malayi	G protein-coupled receptor	0.0041	0.0092	0.0126
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0069	0.0554	0.0466
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0082	0.0774	0.0688
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0082	0.0774	0.0688
Brugia malayi	Melatonin receptor type 1A	0.0041	0.0092	0.0126
Onchocerca volvulus		0.0041	0.0092	0.0126
Brugia malayi	putative neuropeptide receptor	0.0041	0.0092	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Echinococcus multilocularis	serotonin transporter	0.0486	0.7325	0.73
Entamoeba histolytica	hypothetical protein	0.0069	0.0554	0.7734
Trypanosoma cruzi	hypothetical protein, conserved	0.0077	0.0684	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0041	0.0092	0.0126
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0486	0.7325	0.73
Brugia malayi	hypothetical protein	0.0041	0.0092	0.0126
Brugia malayi	hypothetical protein	0.0041	0.0092	0.0126
Schistosoma mansoni	hypothetical protein	0.0069	0.0554	0.0466
Loa Loa (eye worm)	serotonin transporter b	0.0486	0.7325	0.7325
Brugia malayi	G protein-coupled receptor F59B2.13	0.0041	0.0092	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0077	0.0684	0.2028
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0037	0.0043	0.0059
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0082	0.0774	0.0688
Loa Loa (eye worm)	G-protein coupled receptor	0.0041	0.0092	0.0092
Trichomonas vaginalis	chromobox protein, putative	0.0037	0.0043	0.0127
Brugia malayi	Serotonin receptor	0.0041	0.0092	0.0126
Trichomonas vaginalis	pyruvate kinase, putative	0.006	0.0401	0.1188
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0774	0.0774
Echinococcus granulosus	chromobox protein 1	0.0062	0.0443	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Brugia malayi	hypothetical protein	0.0041	0.0092	0.0126
Brugia malayi	G-protein coupled receptor	0.0041	0.0092	0.0126
Echinococcus multilocularis	serotonin receptor	0.0651	1	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0041	0.0092	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0774	0.0774
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0082	0.0774	0.0688
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0077	0.0684	0.0684
Mycobacterium ulcerans	pyruvate kinase	0.006	0.0401	0.5
Echinococcus multilocularis	pyruvate kinase	0.006	0.0401	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0082	0.0774	0.0688
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0082	0.0774	0.0688
Schistosoma mansoni	pyruvate kinase	0.006	0.0401	0.0311
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0082	0.0774	0.0688
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0077	0.0684	0.2028
Mycobacterium leprae	Probable pyruvate kinase PykA	0.006	0.0401	0.5
Brugia malayi	Dopamine receptor	0.0041	0.0092	0.0126
Echinococcus multilocularis	pyruvate kinase	0.0047	0.0197	0.0106
Trichomonas vaginalis	alpha-glucosidase, putative	0.0077	0.0684	0.2028
Loa Loa (eye worm)	pyruvate kinase-PB	0.0042	0.0108	0.0108
Toxoplasma gondii	hypothetical protein	0.0082	0.0774	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0077	0.0684	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0077	0.0684	0.2028
Trichomonas vaginalis	set domain proteins, putative	0.0243	0.3373	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0041	0.0092	0.0092
Brugia malayi	Pre-SET motif family protein	0.0213	0.2895	0.3952
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0082	0.0774	0.0774
Loa Loa (eye worm)	heterochromatin protein 1	0.0062	0.0443	0.0443
Schistosoma mansoni	sodium/chloride dependent transporter	0.0082	0.0774	0.0688
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0041	0.0092	0.0126
Echinococcus granulosus	serotonin transporter	0.0486	0.7325	0.73
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0082	0.0774	0.1056
Echinococcus granulosus	chromobox protein 1	0.0062	0.0443	0.0355
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0082	0.0774	0.0688
Brugia malayi	Pyruvate kinase, M2 isozyme	0.006	0.0401	0.0547
Onchocerca volvulus		0.0201	0.2692	0.3675
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0041	0.0092	0.0092
Echinococcus granulosus	expressed protein	0.0333	0.4841	0.4793
Brugia malayi	GnHR receptor homolog	0.0041	0.0092	0.0126
Brugia malayi	hypothetical protein	0.0041	0.0092	0.0126
Loa Loa (eye worm)	melatonin receptor type 1A	0.0041	0.0092	0.0092
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0651	1	1
Schistosoma mansoni	alpha-glucosidase	0.0299	0.4282	0.4229
Onchocerca volvulus		0.0041	0.0092	0.0126
Echinococcus granulosus	pyruvate kinase	0.006	0.0401	0.0311
Echinococcus granulosus	tumor protein p63	0.0373	0.5497	0.5455
Entamoeba histolytica	hypothetical protein	0.0069	0.0554	0.7734
Echinococcus granulosus	pyruvate kinase	0.006	0.0401	0.0311
Echinococcus multilocularis	pyruvate kinase	0.006	0.0401	0.0311
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Trichomonas vaginalis	alpha-glucosidase, putative	0.0077	0.0684	0.2028
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0041	0.0092	0.0092
Toxoplasma gondii	hypothetical protein	0.0082	0.0774	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0041	0.0092	0.0092
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0069	0.0554	0.0466
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0082	0.0774	0.0688
Leishmania major	alpha glucosidase II subunit, putative	0.0077	0.0684	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0077	0.0684	0.2028
Onchocerca volvulus		0.0041	0.0092	0.0126
Brugia malayi	neuropeptide F receptor	0.0041	0.0092	0.0126
Onchocerca volvulus		0.0082	0.0774	0.1056
Echinococcus granulosus	sodium and chloride dependent glycine	0.0082	0.0774	0.0688
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0082	0.0774	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0082	0.0774	0.0688
Loa Loa (eye worm)	pyruvate kinase	0.006	0.0401	0.0401
Onchocerca volvulus		0.0041	0.0096	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Brugia malayi	Pyruvate kinase, muscle isozyme	0.006	0.0401	0.0547
Plasmodium falciparum	transporter, putative	0.0082	0.0774	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0347	0.5067	0.5021
Onchocerca volvulus		0.0041	0.0092	0.0126
Onchocerca volvulus		0.0055	0.0322	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0774	0.0774
Echinococcus granulosus	sodium and chloride dependent glycine	0.0082	0.0774	0.0688
Schistosoma mansoni	transcription factor LCR-F1	0.0069	0.0554	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Brugia malayi	Heterochromatin protein 1	0.0062	0.0443	0.0605
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0041	0.0092	0.0092
Trichomonas vaginalis	pyruvate kinase, putative	0.006	0.0401	0.1188
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Brugia malayi	G-protein coupled receptor	0.0041	0.0092	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Schistosoma mansoni	cellular tumor antigen P53	0.0055	0.0322	0.0232
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0077	0.0684	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0486	0.7325	0.73
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0082	0.0774	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0082	0.0774	0.0688
Onchocerca volvulus		0.0041	0.0092	0.0126
Loa Loa (eye worm)	pyruvate kinase	0.006	0.0401	0.0401
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0077	0.0684	0.0597
Schistosoma mansoni	alpha-glucosidase	0.0299	0.4282	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0486	0.7325	0.7325
Plasmodium vivax	hypothetical protein, conserved	0.0082	0.0774	1
Trichomonas vaginalis	chromobox protein, putative	0.0062	0.0443	0.1315
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Onchocerca volvulus		0.0041	0.0092	0.0126
Echinococcus multilocularis	neuropeptide receptor	0.0164	0.2097	0.2023
Onchocerca volvulus	Pyruvate kinase homolog	0.006	0.0401	0.0547
Giardia lamblia	Pyruvate kinase	0.006	0.0401	0.5
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0774	0.0774
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0347	0.5067	0.6917
Trichomonas vaginalis	alpha-glucosidase, putative	0.0077	0.0684	0.2028
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0092	0.0092
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0041	0.0092	0.0126
Onchocerca volvulus		0.0041	0.0092	0.0126
Loa Loa (eye worm)	G-protein coupled receptor	0.0041	0.0092	0.0092
Echinococcus multilocularis	expressed protein	0.0333	0.4841	0.4793
Onchocerca volvulus		0.0041	0.0092	0.0126

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= -7.6	Binding affinity towards human orexin receptor type 2 was determined using [125I]-Orexin A as radio ligand	ChEMBL.	15261275
Ki (binding)	= -6.9	Binding affinity towards human orexin receptor type 1 was determined using [125I]-Orexin A as radio ligand	ChEMBL.	15261275
Log Ki (binding)	= 6.9	Binding affinity towards human orexin receptor type 1 was determined using [125I]-Orexin A as radio ligand	ChEMBL.	15261275
Log Ki (binding)	= 7.6	Binding affinity towards human orexin receptor type 2 was determined using [125I]-Orexin A as radio ligand	ChEMBL.	15261275
Selectivity (binding)	= 5	Selectivity of Orexin type 2 receptor over Orexin type 1 receptor	ChEMBL.	15261275

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: CHEMBL364814

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 323054