TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 500.46 | Formula: C27H31Cl2N3O2
H donors: 2 H acceptors: 3 LogP: 6.97 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: CCC(=O)c1cnc2c(c1N[C@@H]1CC[C@H](CC1)CN(C)C)cc(cc2)c1cc(Cl)c(c(c1)Cl)O
InChi: 1S/C27H31Cl2N3O2/c1-4-25(33)21-14-30-24-10-7-17(18-12-22(28)27(34)23(29)13-18)11-20(24)26(21)31-19-8-5-16(6-9-19)15-32(2)3/h7,10-14,16,19,34H,4-6,8-9,15H2,1-3H3,(H,30,31)/t16-,19-
InChiKey: TTXYXNAGFDQSJT-RUCARUNLSA-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	maternal embryonic leucine zipper kinase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	serine/threonine kinase	Get druggable targets OG5_133787	All targets in OG5_133787
Loa Loa (eye worm)	CAMK/CAMKL/MELK protein kinase	Get druggable targets OG5_133787	All targets in OG5_133787
Schistosoma japonicum	gsx family homeobox protein; serine/threonine kinase	Get druggable targets OG5_133787	All targets in OG5_133787
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_133787	All targets in OG5_133787
Echinococcus granulosus	maternal embryonic leucine zipper kinase	Get druggable targets OG5_133787	All targets in OG5_133787
Schistosoma japonicum	ko:K08799 maternal embryonic leucine zipper kinase, putative	Get druggable targets OG5_133787	All targets in OG5_133787
Echinococcus multilocularis	maternal embryonic leucine zipper kinase	Get druggable targets OG5_133787	All targets in OG5_133787
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_133787	All targets in OG5_133787
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_133787	All targets in OG5_133787
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_133787	All targets in OG5_133787

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
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0132	0.5773	0.8387
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0132	0.5773	0.8387
Schistosoma mansoni	biogenic amine receptor	0.0132	0.5773	0.8387
Brugia malayi	larval opioid receptor	0.0132	0.5773	0.8205
Schistosoma mansoni	histamine h1 receptor	0.0132	0.5773	0.8387
Onchocerca volvulus		0.0069	0.1409	0.0235
Echinococcus multilocularis	neuropeptide s receptor	0.0132	0.5773	1
Brugia malayi	neuropeptide F receptor	0.0132	0.5773	0.8205
Echinococcus multilocularis	g protein coupled receptor	0.0132	0.5773	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0132	0.5773	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0132	0.5773	0.8387
Onchocerca volvulus		0.0132	0.5773	0.5195
Schistosoma mansoni	opsin-like receptor	0.0132	0.5773	0.8387
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0132	0.5773	1
Echinococcus multilocularis	maternal embryonic leucine zipper kinase	0.0099	0.3468	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Brugia malayi	Melatonin receptor type 1A	0.0132	0.5773	0.8205
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0132	0.5773	0.8387
Brugia malayi	Protein kinase domain containing protein	0.0148	0.6883	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Onchocerca volvulus		0.0132	0.5773	0.5195
Echinococcus granulosus	7TM GPCR rhodopsin	0.0132	0.5773	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0132	0.5773	0.8387
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0132	0.5773	0.558
Schistosoma mansoni	serine/threonine kinase	0.0148	0.6883	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0132	0.5773	0.558
Loa Loa (eye worm)	adenylyl cyclase 3	0.0164	0.8017	0.8048
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Echinococcus granulosus	sex peptide receptor	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Trichomonas vaginalis	CAMK family protein kinase	0.0148	0.6883	1
Brugia malayi	Adenylyl cyclase protein	0.0069	0.1409	0.1152
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0132	0.5773	1
Echinococcus multilocularis	fmrfamide receptor	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0132	0.5773	0.8387
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0132	0.5773	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0132	0.5773	0.8387
Brugia malayi	hypothetical protein	0.0132	0.5773	0.8205
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Echinococcus granulosus	neuropeptide FF receptor 2	0.0132	0.5773	1
Echinococcus granulosus	neuropeptide s receptor	0.0132	0.5773	1
Echinococcus multilocularis	neuropeptide receptor	0.0132	0.5773	1
Loa Loa (eye worm)	TYRA-2 protein	0.0132	0.5773	0.558
Schistosoma mansoni	amine GPCR	0.0132	0.5773	0.8387
Echinococcus granulosus	somatostatin receptor	0.0132	0.5773	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0132	0.5773	0.8205
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Onchocerca volvulus		0.0132	0.5773	0.5195
Brugia malayi	Dopamine receptor protein 1	0.0132	0.5773	0.8205
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0132	0.5773	0.8387
Echinococcus granulosus	g protein coupled receptor	0.0132	0.5773	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0132	0.5773	1
Onchocerca volvulus	Adenylate cyclase type 2 homolog	0.0069	0.1409	0.0235
Brugia malayi	hypothetical protein	0.0132	0.5773	0.8205
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Echinococcus granulosus	neuropeptide receptor A26	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0132	0.5773	0.558
Echinococcus granulosus	orexin receptor type 2	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Schistosoma mansoni	opsin-like receptor	0.0132	0.5773	0.8387
Loa Loa (eye worm)	CAMK/CAMKL/MELK protein kinase	0.0148	0.6883	0.6801
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0132	0.5773	0.8387
Schistosoma mansoni	hypothetical protein	0.0132	0.5773	0.8387
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0132	0.5773	0.8387
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Echinococcus granulosus	tm gpcr rhodopsin	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Echinococcus granulosus	g protein coupled receptor	0.0132	0.5773	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0132	0.5773	1
Echinococcus granulosus	neuropeptide receptor	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0132	0.5773	0.8205
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0132	0.5773	0.8387
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0132	0.5773	1
Echinococcus multilocularis	adenylate cyclase type IX	0.0098	0.3373	0.5844
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0132	0.5773	0.8387
Onchocerca volvulus		0.0132	0.5773	0.5195
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0132	0.5773	0.8387
Echinococcus granulosus	adenylate cyclase type IX	0.0098	0.3373	0.5844
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0132	0.5773	0.558
Echinococcus multilocularis	sex peptide receptor	0.0132	0.5773	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0132	0.5773	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0132	0.5773	0.8387
Onchocerca volvulus		0.0132	0.5773	0.5195
Onchocerca volvulus		0.0132	0.5773	0.5195
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Onchocerca volvulus		0.0132	0.5773	0.5195
Echinococcus multilocularis	g protein coupled receptor	0.0132	0.5773	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0132	0.5773	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.0132	0.5773	0.8387
Brugia malayi	G protein-coupled receptor	0.0132	0.5773	0.8205
Brugia malayi	Serotonin receptor	0.0132	0.5773	0.8205
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0132	0.5773	0.8387
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Brugia malayi	neuropeptide F receptor	0.0132	0.5773	0.8205
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0132	0.5773	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0132	0.5773	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0132	0.5773	1
Onchocerca volvulus		0.0132	0.5773	0.5195
Schistosoma mansoni	amine GPCR	0.0132	0.5773	0.8387
Onchocerca volvulus		0.0132	0.5773	0.5195
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0132	0.5773	0.8387
Echinococcus granulosus	tm gpcr rhodopsin	0.0132	0.5773	1
Brugia malayi	G-protein coupled receptor	0.0132	0.5773	0.8205
Schistosoma mansoni	hypothetical protein	0.0132	0.5773	0.8387
Schistosoma mansoni	opsin-like receptor	0.0132	0.5773	0.8387
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0132	0.5773	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0132	0.5773	0.8205
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0132	0.5773	0.8205
Echinococcus multilocularis	neuropeptide Y receptor	0.0132	0.5773	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0132	0.5773	1
Schistosoma mansoni	neuropeptide receptor	0.0132	0.5773	0.8387
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0132	0.5773	0.8387
Onchocerca volvulus		0.0132	0.5773	0.5195
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0132	0.5773	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.0132	0.5773	0.558
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0132	0.5773	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0132	0.5773	0.558
Onchocerca volvulus		0.0132	0.5773	0.5195
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0132	0.5773	0.8387
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0132	0.5773	0.5195
Schistosoma mansoni	neuropeptide f receptor 76f	0.0132	0.5773	0.8387
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0132	0.5773	0.8387
Echinococcus granulosus	biogenic amine 5HT receptor	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Brugia malayi	hypothetical protein	0.0132	0.5773	0.8205
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0132	0.5773	0.558
Onchocerca volvulus		0.0132	0.5773	0.5195
Echinococcus granulosus	rhodopsin orphan GPCR	0.0132	0.5773	1
Brugia malayi	hypothetical protein	0.0132	0.5773	0.8205
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0132	0.5773	0.8205
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0132	0.5773	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0132	0.5773	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0132	0.5773	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0132	0.5773	0.8387
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0132	0.5773	0.8387
Loa Loa (eye worm)	G-protein coupled receptor	0.0132	0.5773	0.558
Brugia malayi	GnHR receptor homolog	0.0132	0.5773	0.8205
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Echinococcus multilocularis	neuropeptides capa receptor	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Onchocerca volvulus		0.0132	0.5773	0.5195
Brugia malayi	RE15519p	0.0132	0.5773	0.8205
Onchocerca volvulus		0.0132	0.5773	0.5195
Echinococcus granulosus	g-protein coupled receptor	0.0132	0.5773	1
Echinococcus granulosus	fmrfamide receptor	0.0132	0.5773	1
Brugia malayi	AKH receptor	0.0132	0.5773	0.8205
Echinococcus multilocularis	neuropeptides capa receptor	0.0132	0.5773	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0132	0.5773	0.8387
Echinococcus multilocularis	serotonin receptor	0.0132	0.5773	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0132	0.5773	1
Schistosoma mansoni	amine GPCR	0.0132	0.5773	0.8387
Schistosoma mansoni	adenoreceptor	0.0132	0.5773	0.8387
Echinococcus multilocularis	orexin receptor type 2	0.0132	0.5773	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0132	0.5773	0.5195
Schistosoma mansoni	biogenic amine receptor	0.0132	0.5773	0.8387
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0132	0.5773	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0132	0.5773	1
Echinococcus granulosus	allatostatin A receptor	0.0132	0.5773	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0132	0.5773	1
Echinococcus multilocularis	g protein coupled receptor	0.0132	0.5773	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0132	0.5773	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0132	0.5773	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0132	0.5773	1
Echinococcus multilocularis	g-protein coupled receptor	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Brugia malayi	hypothetical protein	0.0132	0.5773	0.8205
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0132	0.5773	1
Echinococcus granulosus	neuropeptide Y receptor	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Loa Loa (eye worm)	neuropeptide F receptor	0.0132	0.5773	0.558
Echinococcus granulosus	G protein coupled receptor 139	0.0132	0.5773	1
Echinococcus granulosus	neuropeptides capa receptor	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.019	0.9794	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0132	0.5773	0.8387
Echinococcus multilocularis	adenylate cyclase 9	0.0069	0.1409	0.244
Echinococcus granulosus	neuropeptides capa receptor	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Echinococcus multilocularis	G protein coupled receptor 139	0.0132	0.5773	1
Schistosoma mansoni	neuropeptide receptor	0.0132	0.5773	0.8387
Schistosoma mansoni	biogenic amine receptor	0.0132	0.5773	0.8387
Brugia malayi	ORL1-like opioid receptor	0.0132	0.5773	0.8205
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Echinococcus granulosus	rhodopsin orphan GPCR	0.0132	0.5773	1
Echinococcus granulosus	neuropeptide receptor	0.0132	0.5773	1
Onchocerca volvulus		0.0132	0.5773	0.5195
Echinococcus granulosus	adenylate cyclase 9	0.0069	0.1409	0.244
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0132	0.5773	1
Schistosoma mansoni	amine GPCR	0.0132	0.5773	0.8387
Echinococcus granulosus	dro:myosuppressin receptor	0.0132	0.5773	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0132	0.5773	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0132	0.5773	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0132	0.5773	0.8387
Brugia malayi	sulfakinin receptor protein	0.0132	0.5773	0.8205
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0132	0.5773	1
Echinococcus granulosus	serotonin receptor	0.0132	0.5773	1
Brugia malayi	Dopamine receptor protein 2	0.0132	0.5773	0.8205
Echinococcus multilocularis	neuropeptide receptor A26	0.0132	0.5773	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0132	0.5773	0.8387
Schistosoma mansoni	hypothetical protein	0.0132	0.5773	0.8387
Schistosoma mansoni	myosin xvIII	0.0132	0.5773	0.8387
Brugia malayi	hypothetical protein	0.0132	0.5773	0.8205
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1409	0.0783
Schistosoma mansoni	neuropeptide receptor	0.0132	0.5773	0.8387
Echinococcus granulosus	hypothetical protein	0.0132	0.5773	1
Echinococcus multilocularis	somatostatin receptor	0.0132	0.5773	1
Echinococcus granulosus	g protein coupled receptor	0.0132	0.5773	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Brugia malayi	hypothetical protein	0.0132	0.5773	0.8205
Echinococcus granulosus	7tm_1 domain containing protein	0.0132	0.5773	1
Echinococcus multilocularis	neuropeptide receptor	0.0132	0.5773	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0132	0.5773	1
Echinococcus granulosus	neuropeptide Y receptor	0.0132	0.5773	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0132	0.5773	1
Brugia malayi	putative neuropeptide receptor	0.0132	0.5773	0.8205
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Onchocerca volvulus		0.0132	0.5773	0.5195
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Onchocerca volvulus		0.0132	0.5773	0.5195
Brugia malayi	hypothetical protein	0.0132	0.5773	0.8205
Brugia malayi	hypothetical protein	0.0132	0.5773	0.8205
Loa Loa (eye worm)	neuropeptide F receptor	0.0132	0.5773	0.558
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0132	0.5773	0.8387
Echinococcus multilocularis	fmrfamide receptor	0.0132	0.5773	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0132	0.5773	0.8205
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0132	0.5773	0.8387
Echinococcus granulosus	rhodopsin orphan GPCR	0.0132	0.5773	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.0132	0.5773	0.8205
Brugia malayi	G-protein coupled receptor	0.0132	0.5773	0.8205
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Echinococcus multilocularis	allatostatin A receptor	0.0132	0.5773	1
Brugia malayi	hypothetical protein	0.0132	0.5773	0.8205
Echinococcus granulosus	maternal embryonic leucine zipper kinase	0.0099	0.3468	0.6007
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0132	0.5773	1
Schistosoma mansoni	hypothetical protein	0.0132	0.5773	0.8387
Schistosoma mansoni	neuropeptide receptor	0.0132	0.5773	0.8387
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0132	0.5773	1
Schistosoma mansoni	amine GPCR	0.0132	0.5773	0.8387
Brugia malayi	Serotonin receptor	0.0132	0.5773	0.8205
Echinococcus multilocularis	serotonin receptor	0.0132	0.5773	1
Brugia malayi	Dopamine receptor	0.0132	0.5773	0.8205
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0132	0.5773	0.8205
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0132	0.5773	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558
Brugia malayi	follicle stimulating hormone receptor	0.0132	0.5773	0.8205
Loa Loa (eye worm)	hypothetical protein	0.0132	0.5773	0.558

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.5 nM	BindingDB_Patents: Kinase Assay. MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a substrate. The extent of FITC-labeled histone H3 peptide phosphorylation was measured by immobilized metal ion affinity-based fluorescence polarization (IMAP) technology (Sportsman J R, et al., Assay Drug Dev. Technol. 2: 205-14, 2004) using IMAP FP Progressive Binding System (Molecular Devices Corporation). Test compounds were dissolved in DMSO at 12.5 mM and then serially diluted as the DMSO concentration in the assays to be 1%. The serially diluted compounds, 0.8 ng/micro-L PBK (Carna Biosciences) and 100 nM FITC-labeled histone H3 peptide were reacted in a reaction buffer (20 mM HEPES, 0.01% Tween-20, 0.3 mM MgCl2, 2 mM dithiothreitol, 50 micro-M ATP, pH 7.4) at room temperature for 1 hour. The reaction was stopped by the addition of three fold assay volume of progressive binding solution. Following 0.5 hour incubation at room temperature.	ChEMBL.	No reference
IC50 (binding)	= 1.6 nM	BindingDB_Patents: Kinase Assay. MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a substrate. The extent of FITC-labeled histone H3 peptide phosphorylation was measured by immobilized metal ion affinity-based fluorescence polarization (IMAP) technology (Sportsman J R, et al., Assay Drug Dev. Technol. 2: 205-14, 2004) using IMAP FP Progressive Binding System (Molecular Devices Corporation). Test compounds were dissolved in DMSO at 12.5 mM and then serially diluted as the DMSO concentration in the assays to be 1%. The serially diluted compounds, 0.8 ng/micro-L PBK (Carna Biosciences) and 100 nM FITC-labeled histone H3 peptide were reacted in a reaction buffer (20 mM HEPES, 0.01% Tween-20, 0.3 mM MgCl2, 2 mM dithiothreitol, 50 micro-M ATP, pH 7.4) at room temperature for 1 hour. The reaction was stopped by the addition of three fold assay volume of progressive binding solution. Following 0.5 hour incubation at room temperature.	ChEMBL.	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.

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: CHEMBL3679337

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1956922