TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 821.595 | Formula: C38H32Cl2F6N6O4
H donors: 0 H acceptors: 4 LogP: 7.85 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: O=C(N(C)C)C[n+]1ccc(cc1)c1nc(oc1C(F)(F)F)c1ccc(cc1)c1ccc(cc1)c1oc(c(n1)c1cc[n+](cc1)CC(=O)N(C)C)C(F)(F)F.[Cl-].[Cl-]
InChi: 1S/C38H32F6N6O4.2ClH/c1-47(2)29(51)21-49-17-13-25(14-18-49)31-33(37(39,40)41)53-35(45-31)27-9-5-23(6-10-27)24-7-11-28(12-8-24)36-46-32(34(54-36)38(42,43)44)26-15-19-50(20-16-26)22-30(52)48(3)4;;/h5-20H,21-22H2,1-4H3;2*1H/q+2;;/p-2
InChiKey: NKVSSXUDBIIZNZ-UHFFFAOYSA-L

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	choline kinase alpha	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	choline:ethanolamine kinase	Get druggable targets OG5_127835	All targets in OG5_127835
Cryptosporidium parvum	putative choline kinase	Get druggable targets OG5_127835	All targets in OG5_127835
Toxoplasma gondii	phosphotransferase enzyme family protein	Get druggable targets OG5_127835	All targets in OG5_127835
Candida albicans	likely choline kinase similar to S. cerevisiae CKI1 (YLR133W)	Get druggable targets OG5_127835	All targets in OG5_127835
Neospora caninum	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Plasmodium berghei	choline kinase	Get druggable targets OG5_127835	All targets in OG5_127835
Theileria parva	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Plasmodium yoelii	choline kinase GmCK2p-like protein, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Plasmodium falciparum	choline kinase	Get druggable targets OG5_127835	All targets in OG5_127835
Theileria parva	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Theileria parva	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Loa Loa (eye worm)	choline/ethanolamine kinase	Get druggable targets OG5_127835	All targets in OG5_127835
Echinococcus granulosus	choline:ethanolamine kinase	Get druggable targets OG5_127835	All targets in OG5_127835
Theileria parva	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Theileria parva	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Plasmodium knowlesi	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Schistosoma japonicum	ko:K00866 choline kinase [EC2.7.1.32], putative	Get druggable targets OG5_127835	All targets in OG5_127835
Plasmodium vivax	choline kinase, putative	Get druggable targets OG5_127835	All targets in OG5_127835
Brugia malayi	Choline/ethanolamine kinase family protein	Get druggable targets OG5_127835	All targets in OG5_127835
Cryptosporidium hominis	choline kinase GmCK2p-like protein	Get druggable targets OG5_127835	All targets in OG5_127835

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	choline/ethanolamine kinase	choline kinase alpha	457 aa	474 aa	22.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	somatostatin receptor	0.0038	0.7466	0.7365
Echinococcus multilocularis	voltage gated potassium channel	0.0012	0.1253	0.0906
Schistosoma mansoni	biogenic amine receptor	0.0038	0.7466	0.8425
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0038	0.7466	0.7365
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Brugia malayi	hypothetical protein	0.0038	0.7466	0.7365
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.004	0.7989	0.791
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0038	0.7466	0.7365
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0038	0.7466	0.8425
Echinococcus granulosus	tm gpcr rhodopsin	0.0038	0.7466	0.7365
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0038	0.7466	0.8425
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0038	0.7466	0.7365
Brugia malayi	hypothetical protein	0.0038	0.7466	0.7365
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0038	0.7466	0.8425
Schistosoma mansoni	neuropeptide receptor	0.0038	0.7466	0.8425
Loa Loa (eye worm)	neuropeptide F receptor	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0038	0.7466	0.7365
Echinococcus multilocularis	serotonin receptor	0.0038	0.7466	0.7365
Brugia malayi	G-protein coupled receptor	0.0038	0.7466	0.7365
Brugia malayi	putative neuropeptide receptor	0.0038	0.7466	0.7365
Brugia malayi	Melatonin receptor type 1A	0.0038	0.7466	0.7365
Brugia malayi	Dopamine receptor protein 2	0.0038	0.7466	0.7365
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0038	0.7466	0.8425
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Onchocerca volvulus		0.0038	0.7466	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Onchocerca volvulus		0.0038	0.7466	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.0038	0.7466	0.7365
Loa Loa (eye worm)	TYRA-2 protein	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0038	0.7466	0.8425
Brugia malayi	putative neuropeptide receptor NPR1	0.0038	0.7466	0.7365
Brugia malayi	sulfakinin receptor protein	0.0038	0.7466	0.7365
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.004	0.7989	0.791
Schistosoma mansoni	myosin xvIII	0.0038	0.7466	0.8425
Schistosoma mansoni	neuropeptide receptor	0.0038	0.7466	0.8425
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus granulosus	neuropeptide receptor A26	0.0038	0.7466	0.7365
Onchocerca volvulus		0.0038	0.7466	0.5
Brugia malayi	hypothetical protein	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Schistosoma mansoni	biogenic amine receptor	0.0038	0.7466	0.8425
Echinococcus granulosus	rhodopsin orphan GPCR	0.0038	0.7466	0.7365
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	neuropeptide f receptor 76f	0.0038	0.7466	0.8425
Schistosoma mansoni	amine GPCR	0.0038	0.7466	0.8425
Schistosoma mansoni	hypothetical protein	0.0038	0.7466	0.8425
Echinococcus granulosus	g protein coupled receptor	0.0038	0.7466	0.7365
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0038	0.7466	0.5
Schistosoma mansoni	opsin-like receptor	0.0038	0.7466	0.8425
Onchocerca volvulus		0.0038	0.7466	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0038	0.7466	0.7365
Echinococcus multilocularis	g protein coupled receptor	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0038	0.7466	0.7365
Schistosoma mansoni	neuropeptide receptor	0.0038	0.7466	0.8425
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0038	0.7466	0.8425
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0038	0.7466	0.7365
Onchocerca volvulus		0.0038	0.7466	0.5
Onchocerca volvulus		0.0038	0.7466	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.6737	0.6608
Brugia malayi	hypothetical protein	0.0038	0.7466	0.7365
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.7365	1
Brugia malayi	neuropeptide F receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0038	0.7466	0.8425
Echinococcus granulosus	fmrfamide receptor	0.0038	0.7466	0.7365
Echinococcus multilocularis	neuropeptide Y receptor	0.0038	0.7466	0.7365
Echinococcus granulosus	neuropeptide receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0038	0.7466	0.8425
Brugia malayi	follicle stimulating hormone receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0381	0.043
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0038	0.7466	0.7365
Echinococcus multilocularis	neuropeptide receptor	0.0038	0.7466	0.7365
Echinococcus granulosus	rhodopsin orphan GPCR	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Loa Loa (eye worm)	neuropeptide F receptor	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus granulosus	g protein coupled receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0381	0.043
Echinococcus granulosus	7TM GPCR rhodopsin	0.0038	0.7466	0.7365
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0038	0.7466	0.8425
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Schistosoma mansoni	amine GPCR	0.0038	0.7466	0.8425
Schistosoma mansoni	amine GPCR	0.0038	0.7466	0.8425
Plasmodium falciparum	choline kinase	0.0049	1	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0038	0.7466	0.7365
Echinococcus multilocularis	orexin receptor type 2	0.0038	0.7466	0.7365
Echinococcus multilocularis	fmrfamide receptor	0.0038	0.7466	0.7365
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus granulosus	rhodopsin orphan GPCR	0.0038	0.7466	0.7365
Brugia malayi	GnHR receptor homolog	0.0038	0.7466	0.7365
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0038	0.7466	0.7365
Echinococcus granulosus	neuropeptide FF receptor 2	0.0038	0.7466	0.7365
Onchocerca volvulus		0.0038	0.7466	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus granulosus	biogenic amine 5HT receptor	0.0038	0.7466	0.7365
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0038	0.7466	0.7365
Brugia malayi	Serotonin receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.0381	0.043
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0038	0.7466	0.7365
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0038	0.7466	0.7365
Schistosoma mansoni	opsin-like receptor	0.0038	0.7466	0.8425
Schistosoma mansoni	hypothetical protein	0.0038	0.7466	0.8425
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0038	0.7466	0.7365
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0012	0.1253	0.0906
Echinococcus granulosus	rhodopsin orphan GPCR	0.0038	0.7466	0.7365
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0012	0.1253	0.0906
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0038	0.7466	0.7365
Brugia malayi	hypothetical protein	0.0038	0.7466	0.7365
Onchocerca volvulus		0.0038	0.7466	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus multilocularis	g-protein coupled receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0038	0.7466	0.8425
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0038	0.7466	0.8425
Echinococcus multilocularis	sex peptide receptor	0.0038	0.7466	0.7365
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0038	0.7365	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1253	0.0906
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0038	0.7466	0.7365
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0038	0.7466	0.7365
Echinococcus granulosus	rhodopsin orphan GPCR	0.0038	0.7466	0.7365
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.004	0.7989	0.791
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.1253	0.1414
Onchocerca volvulus		0.0038	0.7466	0.5
Echinococcus granulosus	G protein coupled receptor 139	0.0038	0.7466	0.7365
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	hypothetical protein	0.0038	0.7466	0.8425
Schistosoma mansoni	biogenic amine receptor	0.0038	0.7466	0.8425
Loa Loa (eye worm)	G-protein coupled receptor	0.0038	0.7466	0.7365
Brugia malayi	ORL1-like opioid receptor	0.0038	0.7466	0.7365
Brugia malayi	neuropeptide F receptor	0.0038	0.7466	0.7365
Echinococcus granulosus	tm gpcr rhodopsin	0.0038	0.7466	0.7365
Brugia malayi	G protein-coupled receptor	0.0038	0.7466	0.7365
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0038	0.7466	0.7365
Onchocerca volvulus		0.0038	0.7466	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0038	0.7466	0.7365
Onchocerca volvulus		0.0038	0.7466	0.5
Echinococcus multilocularis	allatostatin A receptor	0.0038	0.7466	0.7365
Brugia malayi	AKH receptor	0.0038	0.7466	0.7365
Echinococcus granulosus	rhodopsin orphan GPCR	0.0038	0.7466	0.7365
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0038	0.7466	0.7365
Echinococcus granulosus	serotonin receptor	0.0038	0.7466	0.7365
Echinococcus multilocularis	neuropeptide receptor	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Schistosoma mansoni	growth hormone secretagogue receptor	0.0038	0.7466	0.8425
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0038	0.7466	0.7365
Schistosoma mansoni	amine GPCR	0.0038	0.7466	0.8425
Echinococcus granulosus	dro:myosuppressin receptor	0.0038	0.7466	0.7365
Brugia malayi	RE15519p	0.0038	0.7466	0.7365
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0038	0.7466	0.8425
Brugia malayi	larval opioid receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	neuropeptide receptor	0.0038	0.7466	0.8425
Echinococcus granulosus	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus multilocularis	dro:myosuppressin receptor	0.0038	0.7466	0.7365
Brugia malayi	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0038	0.7466	0.7365
Echinococcus granulosus	neuropeptides capa receptor	0.0038	0.7466	0.7365
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0038	0.7466	0.7365
Onchocerca volvulus		0.0038	0.7466	0.5
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0038	0.7466	0.8425
Brugia malayi	G-protein coupled receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0381	0.043
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus multilocularis	G protein coupled receptor 139	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus multilocularis	neuropeptides capa receptor	0.0038	0.7466	0.7365
Echinococcus granulosus	somatostatin receptor	0.0038	0.7466	0.7365
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0038	0.7466	0.7365
Brugia malayi	hypothetical protein	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus multilocularis	g protein coupled receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0038	0.7466	0.8425
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Onchocerca volvulus		0.0038	0.7466	0.5
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0038	0.7466	0.7365
Onchocerca volvulus		0.0038	0.7466	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0038	0.7466	0.8425
Echinococcus granulosus	sex peptide receptor	0.0038	0.7466	0.7365
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0038	0.7466	0.7365
Brugia malayi	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus granulosus	neuropeptide s receptor	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Brugia malayi	Dopamine receptor	0.0038	0.7466	0.7365
Brugia malayi	hypothetical protein	0.0038	0.7466	0.7365
Schistosoma mansoni	voltage-gated potassium channel	0.0044	0.8861	1
Echinococcus granulosus	neuropeptide Y receptor	0.0038	0.7466	0.7365
Loa Loa (eye worm)	melatonin receptor type 1A	0.0038	0.7466	0.7365
Echinococcus granulosus	neuropeptide Y receptor	0.0038	0.7466	0.7365
Echinococcus granulosus	orexin receptor type 2	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Schistosoma mansoni	adenoreceptor	0.0038	0.7466	0.8425
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0038	0.7466	0.7365
Onchocerca volvulus		0.0038	0.7466	0.5
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0038	0.7466	0.7365
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0038	0.7466	0.7365
Echinococcus granulosus	allatostatin A receptor	0.0038	0.7466	0.7365
Loa Loa (eye worm)	choline/ethanolamine kinase	0.0049	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus multilocularis	fmrfamide receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	neuropeptide F-like receptor	0.0038	0.7466	0.8425
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.1253	0.1414
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0038	0.7466	0.7365
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0038	0.7466	0.7365
Loa Loa (eye worm)	G-protein coupled receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	neuropeptide F-like receptor	0.0038	0.7466	0.8425
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus multilocularis	neuropeptides capa receptor	0.0038	0.7466	0.7365
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0038	0.7466	0.7365
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0008	0.0381	0.043
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0038	0.7466	0.8425
Echinococcus granulosus	7tm_1 domain containing protein	0.0038	0.7466	0.7365
Onchocerca volvulus		0.0038	0.7466	0.5
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0038	0.7466	0.7365
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0038	0.7466	0.8425
Echinococcus granulosus	g protein coupled receptor	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0038	0.7466	0.8425
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0038	0.7466	0.5
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0008	0.0381	0.043
Brugia malayi	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0012	0.1253	0.0906
Schistosoma mansoni	hypothetical protein	0.0038	0.7466	0.8425
Schistosoma mansoni	voltage-gated potassium channel	0.0044	0.8861	1
Plasmodium vivax	choline kinase, putative	0.0049	1	0.5
Toxoplasma gondii	phosphotransferase enzyme family protein	0.0049	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0038	0.7466	0.8425
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0038	0.7466	0.8425
Echinococcus multilocularis	neuropeptide s receptor	0.0038	0.7466	0.7365
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0038	0.7466	0.7365
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.004	0.7989	0.791
Schistosoma mansoni	amine GPCR	0.0038	0.7466	0.8425
Onchocerca volvulus		0.0038	0.7466	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0038	0.7466	0.7365
Echinococcus multilocularis	choline:ethanolamine kinase	0.0049	1	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0038	0.7466	0.7365
Echinococcus granulosus	choline:ethanolamine kinase	0.0049	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0038	0.7466	0.8425
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0038	0.7466	0.8425
Echinococcus multilocularis	neuropeptide receptor A26	0.0038	0.7466	0.7365
Brugia malayi	Serotonin receptor	0.0038	0.7466	0.7365
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0038	0.7466	0.7365
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0038	0.7466	0.8425
Echinococcus granulosus	biogenic amine 5HT receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	opsin-like receptor	0.0038	0.7466	0.8425
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus granulosus	g-protein coupled receptor	0.0038	0.7466	0.7365
Brugia malayi	G protein-coupled receptor F59B2.13	0.0038	0.7466	0.7365
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0038	0.7466	0.8425
Brugia malayi	Dopamine receptor protein 1	0.0038	0.7466	0.7365
Echinococcus granulosus	neuropeptide receptor	0.0038	0.7466	0.7365
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0038	0.7466	0.8425
Echinococcus multilocularis	serotonin receptor	0.0038	0.7466	0.7365
Loa Loa (eye worm)	hypothetical protein	0.0038	0.7466	0.7365
Echinococcus granulosus	rhodopsin orphan GPCR	0.0038	0.7466	0.7365
Schistosoma mansoni	histamine h1 receptor	0.0038	0.7466	0.8425
Echinococcus granulosus	voltage gated potassium channel	0.0012	0.1253	0.0906

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.3 uM	Inhibition of recombinant human Choline kinase alpha using [methyl-14C]choline chloride as substrate after 30 mins by autoradiography	ChEMBL.	21996467
IC50 (functional)	= 4 uM	Cytotoxicity against human HT-29 cells after 72 hrs by MTT assay	ChEMBL.	21996467

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	21996467

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: CHEMBL1909964

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1580902