TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 418.538 | Formula: C23H30N8
H donors: 3 H acceptors: 4 LogP: 3.47 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: NCC1CCN(CC1)c1nc(Nc2ccccc2C)c2c(n1)c(NCC1CC1)ncn2
InChi: 1S/C23H30N8/c1-15-4-2-3-5-18(15)28-22-19-20(21(27-14-26-19)25-13-17-6-7-17)29-23(30-22)31-10-8-16(12-24)9-11-31/h2-5,14,16-17H,6-13,24H2,1H3,(H,25,26,27)(H,28,29,30)
InChiKey: OANDGOOXAJUMJS-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
Homo sapiens	ketohexokinase (fructokinase)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		Get druggable targets OG5_133459	All targets in OG5_133459
Brugia malayi	hypothetical protein	Get druggable targets OG5_133459	All targets in OG5_133459
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133459	All targets in OG5_133459

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	ribokinase, putative	ketohexokinase (fructokinase)	298 aa	307 aa	21.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0112	0.3105	0.3105
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	adenoreceptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus granulosus	dro:myosuppressin receptor	0.017	0.5091	1
Brugia malayi	Melatonin receptor type 1A	0.017	0.5091	0.5091
Brugia malayi	Serotonin receptor	0.017	0.5091	0.5091
Echinococcus multilocularis	neuropeptide receptor A26	0.017	0.5091	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.017	0.5091	1
Brugia malayi	putative neuropeptide receptor	0.017	0.5091	0.5091
Brugia malayi	sulfakinin receptor protein	0.017	0.5091	0.5091
Schistosoma mansoni	biogenic amine (5HT) receptor	0.017	0.5091	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5091	1
Brugia malayi	Dopamine receptor protein 1	0.017	0.5091	0.5091
Echinococcus multilocularis	serotonin receptor	0.017	0.5091	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.017	0.5091	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.017	0.5091	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.017	0.5091	1
Schistosoma mansoni	hypothetical protein	0.017	0.5091	1
Echinococcus granulosus	7tm_1 domain containing protein	0.017	0.5091	1
Loa Loa (eye worm)	neuropeptide F receptor	0.017	0.5091	0.5091
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0105	0.285	1
Loa Loa (eye worm)	neuropeptide F receptor	0.017	0.5091	0.5091
Echinococcus granulosus	7TM GPCR rhodopsin	0.017	0.5091	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.017	0.5091	0.5091
Brugia malayi	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	histamine h1 receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Loa Loa (eye worm)	G-protein coupled receptor	0.017	0.5091	0.5091
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5091	1
Brugia malayi	ORL1-like opioid receptor	0.017	0.5091	0.5091
Loa Loa (eye worm)	G-protein coupled receptor	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0033	0.0356	0.0698
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0105	0.285	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.017	0.5091	1
Brugia malayi	Serotonin receptor	0.017	0.5091	0.5091
Brugia malayi	AKH receptor	0.017	0.5091	0.5091
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.017	0.5091	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.017	0.5091	1
Echinococcus granulosus	serotonin receptor	0.017	0.5091	1
Brugia malayi	G-protein coupled receptor	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.0312	1	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0033	0.0356	0.0698
Echinococcus granulosus	voltage gated potassium channel	0.0033	0.0356	0.0698
Echinococcus granulosus	neuropeptide FF receptor 2	0.017	0.5091	1
Echinococcus multilocularis	g-protein coupled receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus granulosus	neuropeptide receptor A26	0.017	0.5091	1
Loa Loa (eye worm)	TYRA-2 protein	0.017	0.5091	0.5091
Echinococcus multilocularis	sex peptide receptor	0.017	0.5091	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Brugia malayi	hypothetical protein	0.017	0.5091	0.5091
Echinococcus multilocularis	serotonin receptor	0.017	0.5091	1
Schistosoma mansoni	opsin-like receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.017	0.5091	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5091	1
Echinococcus granulosus	somatostatin receptor	0.017	0.5091	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus granulosus	neuropeptide Y receptor	0.017	0.5091	1
Echinococcus granulosus	sex peptide receptor	0.017	0.5091	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus granulosus	neuropeptide receptor	0.017	0.5091	1
Echinococcus multilocularis	orexin receptor type 2	0.017	0.5091	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.017	0.5091	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.017	0.5091	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5091	1
Echinococcus multilocularis	fmrfamide receptor	0.017	0.5091	1
Echinococcus granulosus	neuropeptide Y receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	voltage-gated potassium channel	0.0033	0.0356	0.0698
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5091	1
Schistosoma mansoni	amine GPCR	0.017	0.5091	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.017	0.5091	1
Brugia malayi	neuropeptide F receptor	0.017	0.5091	0.5091
Echinococcus granulosus	allatostatin A receptor	0.017	0.5091	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.017	0.5091	1
Echinococcus multilocularis	neuropeptide s receptor	0.017	0.5091	1
Echinococcus multilocularis	neuropeptides capa receptor	0.017	0.5091	1
Schistosoma mansoni	neuropeptide receptor	0.017	0.5091	1
Schistosoma mansoni	hypothetical protein	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus granulosus	tachykinin peptides receptor 99D	0.017	0.5091	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.017	0.5091	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.017	0.5091	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.017	0.5091	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.017	0.5091	1
Brugia malayi	larval opioid receptor	0.017	0.5091	0.5091
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.017	0.5091	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0112	0.3105	0.3105
Brugia malayi	hypothetical protein	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	biogenic amine (5HT) receptor	0.017	0.5091	1
Schistosoma mansoni	neuropeptide F-like receptor	0.017	0.5091	1
Brugia malayi	putative neuropeptide receptor NPR1	0.017	0.5091	0.5091
Echinococcus granulosus	neuropeptides capa receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	neuropeptide F-like receptor	0.017	0.5091	1
Echinococcus granulosus	fmrfamide receptor	0.017	0.5091	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.017	0.5091	1
Echinococcus granulosus	g protein coupled receptor	0.017	0.5091	1
Schistosoma mansoni	neuropeptide receptor	0.017	0.5091	1
Onchocerca volvulus		0.0312	1	1
Brugia malayi	RE15519p	0.017	0.5091	0.5091
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.017	0.5091	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.017	0.5091	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.017	0.5091	0.5091
Echinococcus granulosus	alpha 1A adrenergic receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.017	0.5091	1
Echinococcus granulosus	G protein coupled receptor 139	0.017	0.5091	1
Echinococcus multilocularis	g protein coupled receptor	0.017	0.5091	1
Schistosoma mansoni	opsin-like receptor	0.017	0.5091	1
Schistosoma mansoni	hypothetical protein	0.017	0.5091	1
Echinococcus multilocularis	g protein coupled receptor	0.017	0.5091	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.017	0.5091	0.5091
Echinococcus multilocularis	neuropeptide FF receptor 2	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	biogenic amine receptor	0.017	0.5091	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.017	0.5091	1
Echinococcus granulosus	neuropeptide s receptor	0.017	0.5091	1
Echinococcus multilocularis	g protein coupled receptor	0.017	0.5091	1
Echinococcus granulosus	tm gpcr rhodopsin	0.017	0.5091	1
Schistosoma mansoni	voltage-gated potassium channel	0.0123	0.3461	0.6797
Echinococcus granulosus	neuropeptides capa receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus multilocularis	G protein coupled receptor 139	0.017	0.5091	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.017	0.5091	0.5091
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.017	0.5091	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5091	1
Echinococcus multilocularis	neuropeptide Y receptor	0.017	0.5091	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5091	1
Schistosoma mansoni	amine GPCR	0.017	0.5091	1
Schistosoma mansoni	amine GPCR	0.017	0.5091	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.017	0.5091	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0112	0.3105	0.6099
Schistosoma mansoni	neuropeptide receptor	0.017	0.5091	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5091	1
Brugia malayi	hypothetical protein	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	biogenic amine receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.017	0.5091	0.5091
Echinococcus granulosus	tm gpcr rhodopsin	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	amine GPCR	0.017	0.5091	1
Echinococcus granulosus	g protein coupled receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Brugia malayi	G protein-coupled receptor	0.017	0.5091	0.5091
Echinococcus granulosus	biogenic amine 5HT receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus multilocularis	neuropeptides capa receptor	0.017	0.5091	1
Echinococcus granulosus	g protein coupled receptor	0.017	0.5091	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.017	0.5091	0.5091
Brugia malayi	hypothetical protein	0.017	0.5091	0.5091
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0356	0.0356
Brugia malayi	GnHR receptor homolog	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	myosin xvIII	0.017	0.5091	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.017	0.5091	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5091	1
Schistosoma mansoni	hypothetical protein	0.017	0.5091	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5091	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0033	0.0356	0.0356
Echinococcus multilocularis	voltage gated potassium channel	0.0033	0.0356	0.0698
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.017	0.5091	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5091	1
Schistosoma mansoni	neuropeptide receptor	0.017	0.5091	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5091	1
Echinococcus granulosus	hypothetical protein	0.017	0.5091	1
Brugia malayi	hypothetical protein	0.017	0.5091	0.5091
Brugia malayi	Dopamine receptor	0.017	0.5091	0.5091
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	alpha-1 adrenergic receptor	0.017	0.5091	1
Echinococcus granulosus	orexin receptor type 2	0.017	0.5091	1
Brugia malayi	neuropeptide F receptor	0.017	0.5091	0.5091
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.017	0.5091	0.5091
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5091	1
Schistosoma mansoni	voltage-gated potassium channel	0.0033	0.0356	0.0698
Brugia malayi	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	voltage-gated potassium channel	0.0123	0.3461	0.6797
Echinococcus granulosus	peptide allatostatin:somatostatin	0.017	0.5091	1
Echinococcus granulosus	neuropeptide receptor	0.017	0.5091	1
Schistosoma mansoni	biogenic amine receptor	0.017	0.5091	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.017	0.5091	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.017	0.5091	1
Echinococcus multilocularis	fmrfamide receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2594	0.2594
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.017	0.5091	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.017	0.5091	1
Brugia malayi	hypothetical protein	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	growth hormone secretagogue receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.017	0.5091	0.5091
Echinococcus granulosus	rhodopsin orphan GPCR	0.017	0.5091	1
Echinococcus multilocularis	neuropeptide Y receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus granulosus	tm gpcr rhodopsin	0.017	0.5091	1
Brugia malayi	follicle stimulating hormone receptor	0.017	0.5091	0.5091
Brugia malayi	Dopamine receptor protein 2	0.017	0.5091	0.5091
Schistosoma mansoni	opsin-like receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.017	0.5091	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.017	0.5091	1
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.017	0.5091	1
Echinococcus multilocularis	somatostatin receptor	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	neuropeptide f receptor 76f	0.017	0.5091	1
Brugia malayi	G-protein coupled receptor	0.017	0.5091	0.5091
Echinococcus multilocularis	neuropeptide receptor	0.017	0.5091	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.017	0.5091	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.017	0.5091	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Echinococcus multilocularis	neuropeptide receptor	0.017	0.5091	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.017	0.5091	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.017	0.5091	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.017	0.5091	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.017	0.5091	1
Echinococcus multilocularis	allatostatin A receptor	0.017	0.5091	1
Brugia malayi	hypothetical protein	0.017	0.5091	0.5091
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0112	0.3105	0.6099
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.017	0.5091	0.5091
Schistosoma mansoni	amine GPCR	0.017	0.5091	1
Echinococcus granulosus	g-protein coupled receptor	0.017	0.5091	1
Brugia malayi	hypothetical protein	0.017	0.5091	0.5091
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.017	0.5091	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 70 nM	Inhibition of human ketohexokinase isoform C expressed in Escherichia coli BL21 (DE3) cells using D-fructose as substrate after 12 to 15 mins by fluorescence polarization assay	ChEMBL.	24900346

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: CHEMBL2017239

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1644523