TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 326.459 | Formula: C18H22N4S
H donors: 1 H acceptors: 0 LogP: 3.29 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CCc1sc2c(c1)C(=Nc1c(N2)cccc1)N1CCN(CC1)C
InChi: 1S/C18H22N4S/c1-3-13-12-14-17(22-10-8-21(2)9-11-22)19-15-6-4-5-7-16(15)20-18(14)23-13/h4-7,12,20H,3,8-11H2,1-2H3
InChiKey: MDESDPDMUPPFJQ-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	neuropeptide F receptor	0.0125	0.0088	0.0227
Echinococcus granulosus	lysosomal alpha glucosidase	0.0167	0.0129	0.0129
Onchocerca volvulus		0.0125	0.0088	0.3601
Echinococcus multilocularis	neutral sphingomyelinase	0.0108	0.0071	0.0071
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Echinococcus granulosus	rhodopsin orphan GPCR	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Echinococcus granulosus	rhodopsin orphan GPCR	0.0125	0.0088	0.0088
Echinococcus multilocularis	serotonin receptor	0.0125	0.0088	0.0088
Echinococcus multilocularis	g protein coupled receptor	0.0125	0.0088	0.0088
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0125	0.0088	0.0088
Onchocerca volvulus		0.0125	0.0088	0.3601
Echinococcus granulosus	serotonin receptor	0.0125	0.0088	0.0088
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0036	0.2545
Echinococcus multilocularis	hormone sensitive lipase	1.0272	1	1
Trypanosoma cruzi	Alpha/beta hydrolase domain-containing protein	0.0174	0.0136	1
Loa Loa (eye worm)	ammd protein	0.0174	0.0136	0.0134
Echinococcus granulosus	G protein coupled receptor 139	0.0125	0.0088	0.0088
Onchocerca volvulus		0.0125	0.0088	0.3601
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0125	0.0088	0.0088
Brugia malayi	hypothetical protein	0.0125	0.0088	0.0227
Echinococcus granulosus	neutral alpha glucosidase AB	0.0037	0.0002	0.0002
Trichomonas vaginalis	Esterase, putative	0.0174	0.0136	0.7496
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	1.0272	1	1
Mycobacterium tuberculosis	Probable esterase LipO	0.0174	0.0136	0.2638
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0125	0.0088	0.0088
Echinococcus granulosus	neuropeptides capa receptor	0.0125	0.0088	0.0088
Schistosoma mansoni	biogenic amine receptor	0.0125	0.0088	0.0088
Echinococcus multilocularis	carboxylesterase 5A	0.0073	0.0037	0.0037
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0088	0.0088
Schistosoma mansoni	opsin-like receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0069
Trypanosoma brucei	Isoprenylcysteine alpha-carbonyl methylesterase, putative	0.0174	0.0136	1
Mycobacterium ulcerans	carboxylesterase LipQ	0.0174	0.0136	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0125	0.0088	0.0088
Brugia malayi	Carboxylesterase family protein	0.0073	0.0037	0.0096
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0125	0.0088	0.0088
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0036	0.1908
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0073	0.0037	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Brugia malayi	Dopamine receptor protein 2	0.0125	0.0088	0.0227
Schistosoma mansoni	neuropeptide receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.011	0.0073	0.0071
Mycobacterium tuberculosis	Probable carboxylesterase LipQ	0.0174	0.0136	0.2638
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Schistosoma mansoni	histamine h1 receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0125	0.0088	0.0227
Mycobacterium ulcerans	lipase LipH	0.0174	0.0136	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0088	0.0088
Loa Loa (eye worm)	neuropeptide F receptor	0.0125	0.0088	0.0086
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0073	0.0037	1
Mycobacterium ulcerans	esterase LipC	0.0174	0.0136	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0088	0.0088
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Treponema pallidum	N-acetylphosphinothricin-tripetide-deacetylase	0.0174	0.0136	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0088	0.0088
Echinococcus multilocularis	acetylcholinesterase	0.0073	0.0037	0.0037
Echinococcus granulosus	tm gpcr rhodopsin	0.0125	0.0088	0.0088
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0088	0.0088
Mycobacterium ulcerans	esterase LipW	0.0174	0.0136	1
Brugia malayi	hypothetical protein	0.0125	0.0088	0.0227
Schistosoma mansoni	neuropeptide receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0193	0.0154	0.0153
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0125	0.0088	0.0088
Brugia malayi	Endonuclease/Exonuclease/phosphatase family protein	0.0108	0.0071	0.0184
Onchocerca volvulus		0.0125	0.0088	0.3601
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0037	0.0002	0.0002
Mycobacterium tuberculosis	Probable lipase/esterase LipN	0.0174	0.0136	0.2638
Echinococcus granulosus	g protein coupled receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	calcium channel	0.0086	0.005	0.0048
Schistosoma mansoni	neuropeptide f receptor 76f	0.0125	0.0088	0.0088
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0125	0.0088	0.0088
Echinococcus granulosus	7tm_1 domain containing protein	0.0125	0.0088	0.0088
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0125	0.0088	0.0088
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0125	0.0088	0.0227
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0125	0.0088	0.0088
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0036	0.0036
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0125	0.0088	0.0086
Loa Loa (eye worm)	G-protein coupled receptor	0.0125	0.0088	0.0086
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0125	0.0088	0.0088
Onchocerca volvulus	Huntingtin homolog	0.011	0.0073	0.2586
Echinococcus granulosus	acetylcholinesterase	0.0073	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Schistosoma mansoni	amine GPCR	0.0125	0.0088	0.0088
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0036	0.0036
Echinococcus granulosus	expressed conserved protein	0.0101	0.0065	0.0065
Echinococcus granulosus	allatostatin A receptor	0.0125	0.0088	0.0088
Brugia malayi	Serotonin receptor	0.0125	0.0088	0.0227
Echinococcus granulosus	orexin receptor type 2	0.0125	0.0088	0.0088
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0125	0.0088	0.0088
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0125	0.0088	0.0086
Brugia malayi	follicle stimulating hormone receptor	0.0125	0.0088	0.0227
Echinococcus multilocularis	voltage dependent calcium channel	0.0086	0.005	0.005
Brugia malayi	hypothetical protein	0.0125	0.0088	0.0227
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0086	0.005	0.005
Echinococcus granulosus	g-protein coupled receptor	0.0125	0.0088	0.0088
Schistosoma mansoni	biogenic amine receptor	0.0125	0.0088	0.0088
Toxoplasma gondii	alpha/beta hydrolase fold domain-containing protein	0.0174	0.0136	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0125	0.0088	0.0088
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0125	0.0088	0.0088
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0125	0.0088	0.0227
Brugia malayi	putative neuropeptide receptor	0.0125	0.0088	0.0227
Schistosoma mansoni	alpha-glucosidase	0.0143	0.0106	0.0106
Brugia malayi	hypothetical protein	0.0125	0.0088	0.0227
Brugia malayi	hypothetical protein	0.0125	0.0088	0.0227
Echinococcus multilocularis	voltage dependent calcium channel	0.0086	0.005	0.005
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0036	0.2545
Schistosoma mansoni	hypothetical protein	0.0125	0.0088	0.0088
Echinococcus granulosus	acetylcholinesterase	0.0073	0.0037	0.0037
Schistosoma mansoni	neuropeptide F-like receptor	0.0125	0.0088	0.0088
Mycobacterium ulcerans	lipase LipI	0.0174	0.0136	1
Brugia malayi	beta-lactamase	0.0072	0.0036	0.0093
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0125	0.0088	0.0088
Mycobacterium tuberculosis	Probable acetyl-hydrolase/esterase LipR	0.0174	0.0136	0.2638
Echinococcus granulosus	biogenic amine 5HT receptor	0.0125	0.0088	0.0088
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0036	0.0034
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Mycobacterium ulcerans	hypothetical protein	0.0174	0.0136	1
Mycobacterium ulcerans	acetyl hydrolase MbtJ	0.0174	0.0136	1
Echinococcus multilocularis	fmrfamide receptor	0.0125	0.0088	0.0088
Echinococcus granulosus	neutral sphingomyelinase	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Echinococcus granulosus	7TM GPCR rhodopsin	0.0125	0.0088	0.0088
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0086	0.005	0.0048
Brugia malayi	G-protein coupled receptor	0.0125	0.0088	0.0227
Onchocerca volvulus		0.0125	0.0088	0.3601
Loa Loa (eye worm)	G-protein coupled receptor	0.0125	0.0088	0.0086
Schistosoma mansoni	neuropeptide F-like receptor	0.0125	0.0088	0.0088
Onchocerca volvulus		0.0125	0.0088	0.3601
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Echinococcus multilocularis	allatostatin A receptor	0.0125	0.0088	0.0088
Onchocerca volvulus		0.0125	0.0088	0.3601
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0088	0.0088
Schistosoma mansoni	opsin-like receptor	0.0125	0.0088	0.0088
Mycobacterium tuberculosis	Probable lipase LipH	0.0174	0.0136	0.2638
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0036	0.1908
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0125	0.0088	0.0088
Onchocerca volvulus		0.0125	0.0088	0.3601
Echinococcus multilocularis	fmrfamide receptor	0.0125	0.0088	0.0088
Echinococcus granulosus	rhodopsin orphan GPCR	0.0125	0.0088	0.0088
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0125	0.0088	0.0088
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0125	0.0088	0.0088
Brugia malayi	G protein-coupled receptor	0.0125	0.0088	0.0227
Onchocerca volvulus		0.0125	0.0088	0.3601
Loa Loa (eye worm)	hypothetical protein	0.011	0.0073	0.0071
Loa Loa (eye worm)	hypothetical protein	1.0272	1	1
Schistosoma mansoni	hypothetical protein	0.0163	0.0125	0.0125
Schistosoma mansoni	alpha-glucosidase	0.0143	0.0106	0.0106
Brugia malayi	Carboxylesterase family protein	0.0073	0.0037	0.0096
Schistosoma mansoni	amine GPCR	0.0125	0.0088	0.0088
Loa Loa (eye worm)	beta-lactamase	0.0072	0.0036	0.0034
Brugia malayi	ORL1-like opioid receptor	0.0125	0.0088	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0036	0.0034
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0167	0.0129	0.0127
Echinococcus multilocularis	G protein coupled receptor 139	0.0125	0.0088	0.0088
Brugia malayi	beta-lactamase family protein	0.0072	0.0036	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Mycobacterium tuberculosis	Possible esterase LipW	0.0174	0.0136	0.2638
Onchocerca volvulus	Huntingtin homolog	0.011	0.0073	0.2586
Echinococcus multilocularis	acetylcholinesterase	0.0073	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0125	0.0088	0.0227
Brugia malayi	Dopamine receptor	0.0125	0.0088	0.0227
Brugia malayi	larval opioid receptor	0.0125	0.0088	0.0227
Schistosoma mansoni	neuropeptide receptor	0.0125	0.0088	0.0088
Brugia malayi	Serotonin receptor	0.0125	0.0088	0.0227
Echinococcus granulosus	g protein coupled receptor	0.0125	0.0088	0.0088
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0086	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Brugia malayi	putative neuropeptide receptor NPR1	0.0125	0.0088	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Mycobacterium ulcerans	lipase LipU	0.0174	0.0136	1
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9D	0.0174	0.0136	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0002	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0037	0.0035
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0037	0.0002	0.0524
Mycobacterium tuberculosis	Probable esterase LipC	0.0174	0.0136	0.2638
Schistosoma mansoni	neuropeptide receptor	0.0125	0.0088	0.0088
Echinococcus granulosus	beta LACTamase domain containing family member	0.0072	0.0036	0.0036
Onchocerca volvulus		0.0125	0.0088	0.3601
Schistosoma mansoni	high voltage-activated calcium channel Cav2A	0.0086	0.005	0.005
Leishmania major	ecotin, putative	0.0174	0.0136	1
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	1.0272	1	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0125	0.0088	0.0088
Onchocerca volvulus		0.0125	0.0088	0.3601
Schistosoma mansoni	amine GPCR	0.0125	0.0088	0.0088
Brugia malayi	Melatonin receptor type 1A	0.0125	0.0088	0.0227
Onchocerca volvulus	Putative neutral sphingomyelinase	0.0108	0.0071	0.2446
Trypanosoma brucei	hypothetical protein, conserved	0.0072	0.0036	0.2545
Brugia malayi	AKH receptor	0.0125	0.0088	0.0227
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0088	0.0088
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0073	0.0037	0.0037
Trichomonas vaginalis	set domain proteins, putative	0.022	0.018	1
Onchocerca volvulus		0.0125	0.0088	0.3601
Trichomonas vaginalis	Esterase, putative	0.0174	0.0136	0.7496
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0088	0.0088
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	1.0272	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0125	0.0088	0.0088
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0125	0.0088	0.0088
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0125	0.0088	0.0088
Trypanosoma cruzi	Isoprenylcysteine alpha-carbonyl methylesterase, putative	0.0174	0.0136	1
Onchocerca volvulus		0.0096	0.006	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Trypanosoma cruzi	Voltage-dependent calcium channel subunit, putative	0.0052	0.0017	0.1131
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Echinococcus multilocularis	geminin	0.0163	0.0125	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0167	0.0129	0.0129
Schistosoma mansoni	voltage-gated cation channel	0.0086	0.005	0.005
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0174	0.0136	0.0136
Mycobacterium tuberculosis	Possible lipase LipU	0.0174	0.0136	0.2638
Echinococcus multilocularis	dro:myosuppressin receptor	0.0125	0.0088	0.0088
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0037	0.0002	0.0005
Onchocerca volvulus		0.0125	0.0088	0.3601
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0125	0.0088	0.0088
Echinococcus multilocularis	neuropeptide Y receptor	0.0125	0.0088	0.0088
Echinococcus multilocularis	neuropeptides capa receptor	0.0125	0.0088	0.0088
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0125	0.0088	0.3601
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0125	0.0088	0.0088
Brugia malayi	beta-lactamase family protein	0.0072	0.0036	0.0093
Mycobacterium ulcerans	lipase LipU	0.0174	0.0136	1
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel alpha 1	0.0086	0.005	0.005
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0088	0.0088
Echinococcus multilocularis	sex peptide receptor	0.0125	0.0088	0.0088
Schistosoma mansoni	hypothetical protein	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0088	0.0088
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0167	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Toxoplasma gondii	ABC1 family protein	0.0072	0.0036	0.2545
Echinococcus multilocularis	g protein coupled receptor	0.0125	0.0088	0.0088
Brugia malayi	hypothetical protein	0.0125	0.0088	0.0227
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0072	0.0036	0.0093
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0125	0.0088	0.0227
Brugia malayi	hypothetical protein	0.0125	0.0088	0.0227
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0125	0.0088	0.0088
Brugia malayi	sulfakinin receptor protein	0.4011	0.3884	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Brugia malayi	hypothetical protein	0.0125	0.0088	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Echinococcus granulosus	rhodopsin orphan GPCR	0.0125	0.0088	0.0088
Echinococcus granulosus	rhodopsin orphan GPCR	0.0125	0.0088	0.0088
Brugia malayi	hypothetical protein	0.011	0.0073	0.0189
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0125	0.0088	0.0088
Leishmania major	hypothetical protein, conserved	0.0072	0.0036	0.2545
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0125	0.0088	0.0086
Brugia malayi	neuropeptide F receptor	0.0125	0.0088	0.0227
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0125	0.0088	0.0086
Mycobacterium ulcerans	lipase/esterase LipN	0.0174	0.0136	1
Echinococcus multilocularis	sodium channel protein	0.0037	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0088	0.0088
Mycobacterium tuberculosis	Probable non lipolytic carboxylesterase NlhH	0.0174	0.0136	0.2638
Onchocerca volvulus		0.0125	0.0088	0.3601
Mycobacterium tuberculosis	Probable esterase/lipase LipF	0.0174	0.0136	0.2638
Toxoplasma gondii	alpha/beta hydrolase fold domain-containing protein	0.0174	0.0136	1
Loa Loa (eye worm)	aryl-acylamidase	0.0174	0.0136	0.0134
Echinococcus granulosus	g protein coupled receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0036	0.1908
Schistosoma mansoni	opsin-like receptor	0.0125	0.0088	0.0088
Echinococcus multilocularis	orexin receptor type 2	0.0125	0.0088	0.0088
Echinococcus multilocularis	conserved hypothetical protein	0.0101	0.0065	0.0065
Onchocerca volvulus		0.0125	0.0088	0.3601
Schistosoma mansoni	hypothetical protein	0.0125	0.0088	0.0088
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0088	0.0088
Echinococcus granulosus	neuropeptide FF receptor 2	0.0125	0.0088	0.0088
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0036	0.0034
Echinococcus granulosus	somatostatin receptor	0.0125	0.0088	0.0088
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0072	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.4011	0.3884	0.3883
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Echinococcus granulosus	voltage dependent calcium channel	0.0086	0.005	0.005
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0125	0.0088	0.0088
Echinococcus granulosus	voltage dependent L type calcium channel subunit\|voltage dependent calcium channel	0.0086	0.005	0.005
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0167	0.0129	0.0331
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0125	0.0088	0.0088
Brugia malayi	RE15519p	0.0125	0.0088	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.0036	0.1908
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0036	0.0034
Echinococcus granulosus	geminin	0.0163	0.0125	0.0125
Trichomonas vaginalis	Esterase, putative	0.0174	0.0136	0.7496
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Trichomonas vaginalis	esterase, putative	0.0072	0.0036	0.1908
Onchocerca volvulus		0.022	0.018	1
Echinococcus multilocularis	somatostatin receptor	0.0125	0.0088	0.0088
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0125	0.0088	0.0088
Schistosoma mansoni	amine GPCR	0.0125	0.0088	0.0088
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0459	0.0414	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0125	0.0088	0.0086
Schistosoma mansoni	alpha glucosidase	0.0037	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Loa Loa (eye worm)	melatonin receptor type 1A	0.0125	0.0088	0.0086
Echinococcus multilocularis	serotonin receptor	0.0125	0.0088	0.0088
Echinococcus multilocularis	g-protein coupled receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0036	0.0034
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0125	0.0088	0.0227
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.0036	0.1908
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Echinococcus multilocularis	neuropeptide receptor A26	0.0125	0.0088	0.0088
Echinococcus granulosus	neuropeptide receptor	0.0125	0.0088	0.0088
Schistosoma mansoni	adenoreceptor	0.0125	0.0088	0.0088
Echinococcus granulosus	neuropeptide receptor	0.0125	0.0088	0.0088
Mycobacterium leprae	Possible lipase LipU	0.0174	0.0136	1
Schistosoma mansoni	amine GPCR	0.0125	0.0088	0.0088
Onchocerca volvulus		0.0174	0.0136	0.6906
Echinococcus granulosus	rhodopsin orphan GPCR	0.0125	0.0088	0.0088
Echinococcus granulosus	rhodopsin orphan GPCR	0.0125	0.0088	0.0088
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0125	0.0088	0.0088
Echinococcus granulosus	tm gpcr rhodopsin	0.0125	0.0088	0.0088
Loa Loa (eye worm)	carboxylesterase	0.0073	0.0037	0.0035
Loa Loa (eye worm)	acetylcholinesterase 1	0.0073	0.0037	0.0035
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0125	0.0088	0.0088
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel\|voltage dependent L type calcium channel subu	0.0086	0.005	0.005
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0125	0.0088	0.0088
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0125	0.0088	0.0088
Trypanosoma cruzi	Isoprenylcysteine alpha-carbonyl methylesterase, putative	0.0174	0.0136	1
Echinococcus granulosus	neuropeptide receptor A26	0.0125	0.0088	0.0088
Plasmodium vivax	hypothetical protein, conserved	0.0072	0.0036	0.5
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0086	0.005	0.005
Echinococcus granulosus	biogenic amine 5HT receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0036	0.0034
Brugia malayi	hypothetical protein	0.4011	0.3884	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0125	0.0088	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Echinococcus granulosus	tm gpcr rhodopsin	0.0125	0.0088	0.0088
Schistosoma mansoni	biogenic amine receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Brugia malayi	aryl-acylamidase	0.0174	0.0136	0.035
Echinococcus granulosus	fmrfamide receptor	0.0125	0.0088	0.0088
Mycobacterium tuberculosis	Probable esterase LipM	0.0174	0.0136	0.2638
Trypanosoma brucei	Voltage-dependent calcium channel subunit, putative	0.0052	0.0017	0.1131
Echinococcus granulosus	neuropeptide s receptor	0.0125	0.0088	0.0088
Echinococcus granulosus	sex peptide receptor	0.0125	0.0088	0.0088
Schistosoma mansoni	high voltage-activated calcium channel Cav1	0.0086	0.005	0.005
Brugia malayi	Pre-SET motif family protein	0.0193	0.0154	0.0398
Echinococcus granulosus	carboxylesterase 5A	0.0073	0.0037	0.0037
Brugia malayi	Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog	0.0086	0.005	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Echinococcus multilocularis	g protein coupled receptor	0.0125	0.0088	0.0088
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0037	0.0002	0.0002
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0125	0.0088	0.0088
Schistosoma mansoni	neutral sphingomyelinase	0.0108	0.0071	0.0071
Echinococcus granulosus	neuropeptide Y receptor	0.0125	0.0088	0.0088
Schistosoma mansoni	hypothetical protein	0.0163	0.0125	0.0125
Brugia malayi	GnHR receptor homolog	0.0125	0.0088	0.0227
Trichomonas vaginalis	conserved hypothetical protein	0.0174	0.0136	0.7496
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0125	0.0088	0.3601
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Loa Loa (eye worm)	TYRA-2 protein	0.0125	0.0088	0.0086
Leishmania major	hypothetical protein, conserved	0.0174	0.0136	1
Schistosoma mansoni	hypothetical protein	0.0125	0.0088	0.0088
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0125	0.0088	0.0088
Brugia malayi	G protein-coupled receptor F59B2.13	0.0125	0.0088	0.0227
Echinococcus multilocularis	neuropeptide receptor	0.0125	0.0088	0.0088
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0125	0.0088	0.0088
Echinococcus granulosus	neuropeptides capa receptor	0.0125	0.0088	0.0088
Schistosoma mansoni	growth hormone secretagogue receptor	0.0125	0.0088	0.0088
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0086	0.005	0.005
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Echinococcus granulosus	hypothetical protein	0.0101	0.0065	0.0065
Mycobacterium ulcerans	esterase/lipase	0.0174	0.0136	1
Mycobacterium ulcerans	membrane-bound esterase LipM	0.0174	0.0136	1
Brugia malayi	Dopamine receptor protein 1	0.0125	0.0088	0.0227
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0072	0.0036	0.0034
Echinococcus granulosus	neuropeptide Y receptor	0.0125	0.0088	0.0088
Mycobacterium ulcerans	esterase LipO	0.0174	0.0136	1
Echinococcus multilocularis	expressed conserved protein	0.0101	0.0065	0.0065
Mycobacterium tuberculosis	Putative acetyl hydrolase MbtJ	0.0174	0.0136	0.2638
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Onchocerca volvulus		0.0125	0.0088	0.3601
Echinococcus multilocularis	neuropeptide receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0088	0.0086
Echinococcus multilocularis	neuropeptide s receptor	0.0125	0.0088	0.0088
Echinococcus granulosus	hypothetical protein	0.0125	0.0088	0.0088
Schistosoma mansoni	myosin xvIII	0.0125	0.0088	0.0088
Echinococcus multilocularis	neuropeptide Y receptor	0.0125	0.0088	0.0088
Echinococcus multilocularis	neuropeptides capa receptor	0.0125	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0037	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0037	0.0035
Brugia malayi	hypothetical protein	0.0125	0.0088	0.0227
Echinococcus granulosus	dro:myosuppressin receptor	0.0125	0.0088	0.0088
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0125	0.0088	0.0088
Brugia malayi	G-protein coupled receptor	0.0125	0.0088	0.0227
Onchocerca volvulus		0.0125	0.0088	0.3601

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 1	Compound was assessed for its ability to produce catalepsy in rats; Dose administered perorally is 16 mg/kg; Group score is 4-7	ChEMBL.	6105216
Activity (functional)	= 2	Compound was assessed for its ability to block a conditioned avoidance response; Dose administered perorally is 10 mg/kg; 31-50%block	ChEMBL.	6105216
EDmin (functional)	= 25 mg kg-1	Hypothermia in mice after peroral administration	ChEMBL.	6105216
EDmin (functional)	= 25 mg kg-1	Hypothermia in mice after peroral administration	ChEMBL.	6105216
LD50 (ADMET)	= 150 mg kg-1	Lethal dose in mice after perorla administration	ChEMBL.	6105216
LD50 (ADMET)	= 150 mg kg-1	Lethal dose in mice after perorla administration	ChEMBL.	6105216

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: CHEMBL352611

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 289006