TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 411.459 | Formula: C23H21N7O
H donors: 1 H acceptors: 5 LogP: 3.48 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1n1nccn1)N1C2CCC1C(C2)Nc1cnc2c(n1)cccc2
InChi: 1S/C23H21N7O/c31-23(16-5-1-4-8-20(16)30-25-11-12-26-30)29-15-9-10-21(29)19(13-15)28-22-14-24-17-6-2-3-7-18(17)27-22/h1-8,11-12,14-15,19,21H,9-10,13H2,(H,27,28)
InChiKey: YHJLIFHRJRCLKN-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	Orexin receptor 1	Starlite/ChEMBL	No references
Homo sapiens	hypocretin (orexin) receptor 1	Starlite/ChEMBL	No references
Homo sapiens	hypocretin (orexin) receptor 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	G protein coupled receptor 139	Get druggable targets OG5_127863	All targets in OG5_127863
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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	orexin receptor type 2	Orexin receptor 1	416 aa	378 aa	23.8 %
Echinococcus granulosus	sex peptide receptor	Orexin receptor 1	416 aa	413 aa	23.2 %
Echinococcus granulosus	orexin receptor type 2	Orexin receptor 1	416 aa	377 aa	24.7 %
Echinococcus multilocularis	neuropeptides capa receptor	Orexin receptor 1	416 aa	438 aa	22.4 %
Schistosoma mansoni	biogenic amine (5HT) receptor	Orexin receptor 1	416 aa	406 aa	23.2 %
Echinococcus multilocularis	g protein coupled receptor	Orexin receptor 1	416 aa	413 aa	23.2 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	Orexin receptor 1	416 aa	344 aa	28.2 %
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	Orexin receptor 1	416 aa	405 aa	20.2 %
Onchocerca volvulus		Orexin receptor 1	416 aa	364 aa	25.3 %
Echinococcus granulosus	allatostatin A receptor	Orexin receptor 1	416 aa	345 aa	24.9 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	Orexin receptor 1	416 aa	360 aa	27.2 %
Schistosoma japonicum	FMRFamide receptor, putative	Orexin receptor 1	416 aa	387 aa	20.2 %
Loa Loa (eye worm)	hypothetical protein	Orexin receptor 1	416 aa	391 aa	24.3 %
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	Orexin receptor 1	416 aa	405 aa	19.0 %
Echinococcus multilocularis	rhodopsin orphan GPCR	Orexin receptor 1	416 aa	354 aa	22.0 %
Echinococcus granulosus	g protein coupled receptor	Orexin receptor 1	416 aa	413 aa	23.2 %
Echinococcus granulosus	sex peptide receptor	hypocretin (orexin) receptor 1	425 aa	350 aa	23.4 %
Onchocerca volvulus		Orexin receptor 1	416 aa	439 aa	23.7 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Orexin receptor 1	416 aa	376 aa	22.1 %
Echinococcus granulosus	rhodopsin orphan GPCR	Orexin receptor 1	416 aa	369 aa	22.0 %
Echinococcus multilocularis	sex peptide receptor	Orexin receptor 1	416 aa	416 aa	22.8 %
Echinococcus multilocularis	allatostatin A receptor	Orexin receptor 1	416 aa	341 aa	24.9 %
Onchocerca volvulus	Phospholipase d-related homolog	Orexin receptor 1	416 aa	344 aa	22.4 %
Onchocerca volvulus		Orexin receptor 1	416 aa	397 aa	22.9 %
Schistosoma mansoni	dro/myosuppressin receptor	Orexin receptor 1	416 aa	334 aa	21.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0016	0.0209	0.0209
Trypanosoma cruzi	cytochrome P450, putative	0.0021	0.0564	0.7928
Echinococcus multilocularis	jun protein	0.0078	0.4496	0.4496
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0013	0	0.5
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0016	0.0209	0.0237
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0016	0.0209	0.0237
Brugia malayi	Cytochrome P450 family protein	0.0021	0.0564	0.064
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0014	0.0034	0.0034
Brugia malayi	hypothetical protein	0.0023	0.0712	0.0807
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0026	0.0878	0.0996
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0026	0.0878	0.0996
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0026	0.0878	0.0996
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0026	0.0878	0.0996
Onchocerca volvulus		0.0025	0.0825	0.0716
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0026	0.0878	0.0777
Brugia malayi	steroid hormone receptor	0.0026	0.0878	0.0996
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0013	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0104	0.0118
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0026	0.0878	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0878	0.0996
Brugia malayi	intermediate filament protein	0.0025	0.0825	0.0936
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0013	0	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0021	0.0564	0.064
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0878	0.0996
Brugia malayi	hypothetical protein	0.0015	0.0136	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0016	0.0209	0.0209
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0026	0.0878	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Echinococcus multilocularis	neuropeptide receptor	0.0131	0.8184	0.8184
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0016	0.0209	0.0237
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0016	0.0209	0.0209
Brugia malayi	bZIP transcription factor family protein	0.0078	0.4496	0.5098
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0026	0.0878	0.0996
Schistosoma mansoni	hypothetical protein	0.0015	0.0104	0.0104
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0026	0.0878	0.0878
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0046	0.2299	0.2606
Echinococcus multilocularis	ecdysone induced protein 78C	0.0026	0.0878	0.0878
Schistosoma mansoni	thyroid hormone receptor	0.0026	0.0878	0.0878
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0026	0.0878	0.0878
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0016	0.0209	0.0209
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0016	0.0209	0.0237
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0016	0.0209	0.0237
Echinococcus granulosus	intermediate filament protein	0.0025	0.0825	0.0825
Echinococcus multilocularis	lamin	0.0025	0.0825	0.0825
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0016	0.0209	0.0209
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0016	0.0209	0.0237
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0026	0.0878	0.0996
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0016	0.0209	0.0237
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0104	0.0104
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0013	0	0.5
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0016	0.0209	0.0209
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0016	0.0209	0.0237
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0026	0.0878	0.0996
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0014	0.0034	0.0034
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0026	0.0878	0.0996
Onchocerca volvulus		0.0026	0.0878	0.0777
Leishmania major	hypothetical protein, conserved	0.0023	0.0712	1
Schistosoma mansoni	nAChR subunit	0.0016	0.0209	0.0209
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0078	0.4496	0.4496
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0016	0.0209	0.0209
Echinococcus multilocularis	G protein coupled receptor 139	0.0131	0.8184	0.8184
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0034	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0878	0.0996
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0034	0.0038
Brugia malayi	Cytochrome P450 family protein	0.0021	0.0564	0.064
Brugia malayi	cytoplasmic intermediate filament protein	0.0013	0.0019	0.0021
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0016	0.0209	0.0209
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0026	0.0878	0.0878
Onchocerca volvulus		0.014	0.8819	1
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0013	0	0.5
Echinococcus multilocularis	geminin	0.0157	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0014	0.0034	0.0038
Echinococcus granulosus	neuropeptide receptor	0.0131	0.8184	0.8184
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0878	0.0996
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0026	0.0878	0.0878
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0046	0.2299	0.2606
Schistosoma mansoni	hypothetical protein	0.0157	1	1
Brugia malayi	Cytochrome P450 family protein	0.0031	0.1229	0.1393
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0104	0.0104
Brugia malayi	photoreceptor-specific nuclear receptor	0.0026	0.0878	0.0996
Loa Loa (eye worm)	hypothetical protein	0.014	0.8819	1
Brugia malayi	Steroid receptor seven-up type 2	0.0026	0.0878	0.0996
Echinococcus granulosus	FTZ F1 alpha	0.0026	0.0878	0.0878
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0104	0.0118
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0016	0.0209	0.0209
Brugia malayi	latrophilin 2 splice variant baaae	0.0032	0.1283	0.1455
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0013	0	0.5
Onchocerca volvulus	Protein ultraspiracle homolog	0.0026	0.0878	0.0777
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0014	0.0034	0.0034
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0026	0.0878	0.0996
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0016	0.0209	0.0209
Trypanosoma cruzi	PAB1-binding protein , putative	0.0023	0.0712	1
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0016	0.0209	0.0209
Loa Loa (eye worm)	intermediate filament protein	0.0025	0.0825	0.0936
Mycobacterium leprae	Conserved hypothetical protein	0.0013	0	0.5
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0013	0	0.5
Schistosoma mansoni	hypothetical protein	0.0015	0.0104	0.0104
Echinococcus granulosus	glycine receptor subunit beta	0.0016	0.0209	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Brugia malayi	Nuclear hormone receptor-like 1	0.0014	0.0034	0.0038
Brugia malayi	Nuclear hormone receptor-like 1	0.0014	0.0034	0.0038
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0026	0.0878	0.0878
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0026	0.0878	0.0878
Echinococcus granulosus	ecdysone induced protein 78C	0.0026	0.0878	0.0878
Plasmodium falciparum	ataxin-2 like protein, putative	0.0023	0.0712	0.5
Trypanosoma brucei	cytochrome P450, putative	0.0021	0.0564	0.7928
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0104	0.0118
Brugia malayi	hypothetical protein	0.014	0.8819	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0104	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0026	0.0878	0.0996
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0016	0.0209	0.0237
Schistosoma mansoni	jun-related protein	0.0063	0.3483	0.3483
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0026	0.0878	0.0996
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0878	0.0996
Schistosoma mansoni	nuclear hormone receptor	0.0026	0.0878	0.0878
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0013	0	0.5
Schistosoma mansoni	nAChR subunit	0.0016	0.0209	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0076	0.4348	0.493
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0016	0.0209	0.0209
Schistosoma mansoni	RAR-like nuclear receptor	0.0026	0.0878	0.0878
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0013	0	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0026	0.0878	0.0878
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0016	0.0209	0.0209
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0026	0.0878	0.0996
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1283	0.1455
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0016	0.0209	0.0209
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0016	0.0209	0.0237
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0013	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0026	0.0878	0.0996
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0013	0	0.5
Brugia malayi	nuclear hormone receptor	0.0026	0.0878	0.0996
Brugia malayi	nuclear receptor RXR	0.0014	0.0034	0.0038
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0016	0.0209	0.0237
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0016	0.0209	0.0209
Schistosoma mansoni	hypothetical protein	0.0032	0.1283	0.1283
Echinococcus multilocularis	nAChR subunit	0.0016	0.0209	0.0209
Onchocerca volvulus		0.0025	0.0825	0.0716
Echinococcus granulosus	lamin	0.0025	0.0825	0.0825
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0026	0.0878	0.0878
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0026	0.0878	0.0878
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0014	0.0034	0.0034
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0016	0.0209	0.0237
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0026	0.0878	0.0878
Echinococcus multilocularis	musashi	0.0025	0.0825	0.0825
Brugia malayi	ecdysteroid receptor	0.0026	0.0878	0.0996
Brugia malayi	hypothetical protein	0.0014	0.0034	0.0038
Brugia malayi	Cation transporter family protein	0.0016	0.0209	0.0237
Loa Loa (eye worm)	CYP4Cod1	0.0021	0.0564	0.064
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0016	0.0209	0.0237
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0016	0.0209	0.0209
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0013	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Loa Loa (eye worm)	ACC-1 protein	0.0016	0.0209	0.0237
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0016	0.0209	0.0237
Onchocerca volvulus	Bile acid receptor homolog	0.0026	0.0878	0.0777
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0016	0.0209	0.0209
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0026	0.0878	0.0878
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0016	0.0209	0.0209
Echinococcus multilocularis	FTZ F1 alpha	0.0026	0.0878	0.0878
Schistosoma mansoni	nAChR subunit	0.0016	0.0209	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0016	0.0209	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0013	0	0.5
Brugia malayi	nuclear receptor NHR-88	0.0026	0.0878	0.0996
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0104	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0878	0.0996
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0026	0.0878	0.0996
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0016	0.0209	0.0209
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0016	0.0209	0.0237
Loa Loa (eye worm)	MH2 domain-containing protein	0.0111	0.6776	0.7684
Plasmodium vivax	ataxin-2 like protein, putative	0.0023	0.0712	0.5
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0016	0.0209	0.0209
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0013	0	0.5
Brugia malayi	Intermediate filament tail domain containing protein	0.0025	0.0825	0.0936
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0016	0.0209	0.0209
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0016	0.0209	0.0237
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0026	0.0878	0.0996
Echinococcus multilocularis	lamin dm0	0.0025	0.0825	0.0825
Trypanosoma cruzi	PAB1-binding protein , putative	0.0023	0.0712	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Echinococcus granulosus	GPCR family 2	0.0015	0.0104	0.0104
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0013	0	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0021	0.0564	0.064
Loa Loa (eye worm)	transcription factor SMAD2	0.0111	0.6776	0.7684
Brugia malayi	Cation transporter family protein	0.0016	0.0209	0.0237
Schistosoma mansoni	lamin	0.0025	0.0825	0.0825
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0026	0.0878	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Schistosoma mansoni	nAChR subunit	0.0016	0.0209	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0034	0.0038
Schistosoma mansoni	nAChR subunit	0.0016	0.0209	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0793	0.0899
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0034	0.0038
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0026	0.0878	0.0878
Brugia malayi	MH2 domain containing protein	0.0111	0.6776	0.7684
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0016	0.0209	0.0237
Brugia malayi	excitatory GABA receptor EXP-1A	0.0016	0.0209	0.0237
Loa Loa (eye worm)	steroid hormone receptor	0.0026	0.0878	0.0996
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0046	0.2299	0.2606
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0026	0.0878	0.0996
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0078	0.4496	0.4496
Schistosoma mansoni	intermediate filament proteins	0.0025	0.0825	0.0825
Loa Loa (eye worm)	cytochrome P450 family protein	0.0031	0.1229	0.1393
Mycobacterium leprae	putative cytochrome p450	0.0013	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0013	0	0.5
Loa Loa (eye worm)	LGC-31 protein	0.0016	0.0209	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0825	0.0936
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0016	0.0209	0.0237
Echinococcus granulosus	lamin dm0	0.0025	0.0825	0.0825
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0016	0.0209	0.0237
Schistosoma mansoni	nAChR subunit	0.0016	0.0209	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0034	0.0038
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0026	0.0878	0.0996
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0026	0.0878	0.0878
Echinococcus multilocularis	glycine receptor subunit beta	0.0016	0.0209	0.0209
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0026	0.0878	0.0878
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0026	0.0878	0.0878
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0026	0.0878	0.0996
Echinococcus multilocularis	glycine receptor subunit beta	0.0016	0.0209	0.0209
Echinococcus granulosus	jun protein	0.0078	0.4496	0.4496
Schistosoma mansoni	hypothetical protein	0.0015	0.0104	0.0104
Schistosoma mansoni	neuropeptide receptor	0.0131	0.8184	0.8184
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0016	0.0209	0.0209
Leishmania major	cytochrome p450-like protein	0.0021	0.0564	0.7928
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0021	0.0564	1
Schistosoma mansoni	thyroid hormone receptor	0.0026	0.0878	0.0878
Schistosoma mansoni	hypothetical protein	0.0063	0.3483	0.3483
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0013	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0016	0.0209	0.0209
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0016	0.0209	0.0209
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0013	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0026	0.0878	0.0996
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0016	0.0209	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0046	0.2299	0.2606
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0016	0.0209	0.0237
Schistosoma mansoni	coup transcription factor	0.0026	0.0878	0.0878
Schistosoma mansoni	nAChR subunit	0.0016	0.0209	0.0209
Schistosoma mansoni	retinoic acid receptor RXR	0.0026	0.0878	0.0878
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0016	0.0209	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Trypanosoma brucei	PAB1-binding protein , putative	0.0023	0.0712	1
Trypanosoma cruzi	cytochrome P450, putative	0.0021	0.0564	0.7928
Onchocerca volvulus		0.0061	0.3335	0.3631
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0013	0	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0016	0.0209	0.0209
Schistosoma mansoni	hypothetical protein	0.0157	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0209	0.0237
Brugia malayi	hypothetical protein	0.0014	0.0034	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0878	0.0996
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0026	0.0878	0.0878
Brugia malayi	hypothetical protein	0.0061	0.3335	0.3781
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0013	0.0019	0.0021
Schistosoma mansoni	hypothetical protein	0.0015	0.0104	0.0104
Echinococcus granulosus	glycine receptor subunit beta	0.0016	0.0209	0.0209
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0026	0.0878	0.0996
Brugia malayi	Nuclear hormone receptor-like 1	0.0026	0.0878	0.0996
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0026	0.0878	0.0878
Schistosoma mansoni	lamin	0.0025	0.0825	0.0825
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0016	0.0209	0.0209
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0025	0.0825	0.0936
Plasmodium falciparum	ataxin-2 like protein, putative	0.0023	0.0712	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0013	0	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.0023	0.0712	1
Loa Loa (eye worm)	ACC-1 protein	0.0016	0.0209	0.0237
Echinococcus granulosus	nAChR subunit	0.0016	0.0209	0.0209
Brugia malayi	Cation transporter family protein	0.0016	0.0209	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0712	0.0807
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0104	0.0118
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0104	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0878	0.0996
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0026	0.0878	0.0878

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 25 nM	BindingDB_Patents: Radioligand Binding Assay. Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% FBS, 1x Pen/Strep, 1x sodium pyruvate, 10 mM HEPES, 600 ug/mL G418 and DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1x Pen/Strep, 600 ug/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phosphate Buffered Saline 1x with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 5 min at 4 C.), the supernatant was aspirated and the pellets frozen and stored at -800 C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL.	ChEMBL.	No reference
Ki (binding)	= 25 nM	Radioligand Binding Assay	BINDINGDB.	No reference
Ki (binding)	= 25 nM	BindingDB_Patents: Radioligand Binding Assay. Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% FBS, 1x Pen/Strep, 1x sodium pyruvate, 10 mM HEPES, 600 ug/mL G418 and DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1x Pen/Strep, 600 ug/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phosphate Buffered Saline 1x with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 5 min at 4 C.), the supernatant was aspirated and the pellets frozen and stored at -800 C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL.	ChEMBL.	No reference
Ki (binding)	= 33 nM	BindingDB_Patents: Radioligand Binding Assay. HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% FBS, 1x Pen/Strep, 1x NaPyruvate, 10 mM HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phosphate Buffered Saline 1x with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 5 min at 40 C.), the supernatant was aspirated and the pellets frozen and stored at -80 C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity=29.6 Ci/mmol).	ChEMBL.	No reference
Ki (binding)	= 33 nM	Radioligand Binding Assay	BINDINGDB.	No reference
Ki (binding)	= 220 nM	Radioligand Binding Assay	BINDINGDB.	No reference
Ki (binding)	= 220 nM	Radioligand Binding Assay	BINDINGDB.	No reference

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.

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External resources for this compound

ChEMBL: CHEMBL3663498

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1959455