TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 543.485 | Formula: C28H32Cl2N4O3
H donors: 3 H acceptors: 4 LogP: 5.53 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: CN(CCNC(=O)[C@@H]1CC[C@H](CC1)Nc1c(cnc2c1cc(cc2)c1cc(Cl)c(c(c1)Cl)O)C(=O)C)C
InChi: 1S/C28H32Cl2N4O3/c1-16(35)22-15-32-25-9-6-18(19-13-23(29)27(36)24(30)14-19)12-21(25)26(22)33-20-7-4-17(5-8-20)28(37)31-10-11-34(2)3/h6,9,12-15,17,20,36H,4-5,7-8,10-11H2,1-3H3,(H,31,37)(H,32,33)/t17-,20-
InChiKey: FYCWVFLHMCMZRF-IRJFHVNHSA-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
Trichomonas vaginalis	CAMK family protein 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
Echinococcus multilocularis	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
Loa Loa (eye worm)	CAMK/CAMKL/MELK protein kinase	Get druggable targets OG5_133787	All targets in OG5_133787
Schistosoma mansoni	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	gsx family homeobox protein; serine/threonine 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
Echinococcus granulosus	biogenic amine 5HT receptor	0.0144	0.6884	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0144	0.6884	1
Echinococcus multilocularis	g-protein coupled receptor	0.0144	0.6884	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Brugia malayi	hypothetical protein	0.0144	0.6884	0.9518
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0144	0.6884	1
Schistosoma mansoni	biogenic amine receptor	0.0144	0.6884	0.9558
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0144	0.6884	1
Schistosoma mansoni	amine GPCR	0.0144	0.6884	0.9558
Echinococcus multilocularis	orexin receptor type 2	0.0144	0.6884	1
Schistosoma mansoni	adenoreceptor	0.0144	0.6884	0.9558
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0144	0.6884	0.6499
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0144	0.6884	1
Echinococcus granulosus	allatostatin A receptor	0.0144	0.6884	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0144	0.6884	1
Echinococcus multilocularis	g protein coupled receptor	0.0144	0.6884	1
Echinococcus multilocularis	G protein coupled receptor 139	0.0144	0.6884	1
Schistosoma mansoni	neuropeptide receptor	0.0144	0.6884	0.9558
Brugia malayi	ORL1-like opioid receptor	0.0144	0.6884	0.9518
Schistosoma mansoni	biogenic amine receptor	0.0144	0.6884	0.9558
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus granulosus	rhodopsin orphan GPCR	0.0144	0.6884	1
Echinococcus granulosus	neuropeptide Y receptor	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Loa Loa (eye worm)	neuropeptide F receptor	0.0144	0.6884	0.6842
Echinococcus granulosus	G protein coupled receptor 139	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0183	0.9791	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0144	0.6884	0.9558
Echinococcus granulosus	neuropeptides capa receptor	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus multilocularis	adenylate cyclase 9	0.0067	0.1307	0.1898
Echinococcus granulosus	neuropeptides capa receptor	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0144	0.6884	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0144	0.6884	0.9558
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0144	0.6884	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0144	0.6884	0.9558
Loa Loa (eye worm)	G-protein coupled receptor	0.0144	0.6884	0.6842
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0144	0.6884	0.6842
Brugia malayi	hypothetical protein	0.0144	0.6884	0.9518
Schistosoma mansoni	neuropeptide f receptor 76f	0.0144	0.6884	0.9558
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0144	0.6884	0.9558
Echinococcus granulosus	biogenic amine 5HT receptor	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Onchocerca volvulus		0.0144	0.6884	0.6499
Brugia malayi	hypothetical protein	0.0144	0.6884	0.9518
Echinococcus granulosus	rhodopsin orphan GPCR	0.0144	0.6884	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0144	0.6884	0.9518
Echinococcus granulosus	fmrfamide receptor	0.0144	0.6884	1
Brugia malayi	AKH receptor	0.0144	0.6884	0.9518
Echinococcus multilocularis	neuropeptides capa receptor	0.0144	0.6884	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0144	0.6884	0.9558
Echinococcus multilocularis	serotonin receptor	0.0144	0.6884	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus multilocularis	neuropeptides capa receptor	0.0144	0.6884	1
Brugia malayi	GnHR receptor homolog	0.0144	0.6884	0.9518
Onchocerca volvulus		0.0144	0.6884	0.6499
Brugia malayi	RE15519p	0.0144	0.6884	0.9518
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus granulosus	g-protein coupled receptor	0.0144	0.6884	1
Onchocerca volvulus		0.0144	0.6884	0.6499
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0144	0.6884	0.9518
Echinococcus multilocularis	fmrfamide receptor	0.0144	0.6884	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0144	0.6884	0.9558
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Brugia malayi	G-protein coupled receptor	0.0144	0.6884	0.9518
Brugia malayi	G protein-coupled receptor F59B2.13	0.0144	0.6884	0.9518
Echinococcus granulosus	rhodopsin orphan GPCR	0.0144	0.6884	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Onchocerca volvulus		0.0144	0.6884	0.6499
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Onchocerca volvulus		0.0144	0.6884	0.6499
Loa Loa (eye worm)	neuropeptide F receptor	0.0144	0.6884	0.6842
Brugia malayi	hypothetical protein	0.0144	0.6884	0.9518
Brugia malayi	hypothetical protein	0.0144	0.6884	0.9518
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0144	0.6884	0.9558
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus multilocularis	serotonin receptor	0.0144	0.6884	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0144	0.6884	0.9518
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Brugia malayi	Dopamine receptor	0.0144	0.6884	0.9518
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Brugia malayi	follicle stimulating hormone receptor	0.0144	0.6884	0.9518
Brugia malayi	hypothetical protein	0.0144	0.6884	0.9518
Echinococcus multilocularis	allatostatin A receptor	0.0144	0.6884	1
Schistosoma mansoni	hypothetical protein	0.0144	0.6884	0.9558
Schistosoma mansoni	neuropeptide receptor	0.0144	0.6884	0.9558
Echinococcus granulosus	maternal embryonic leucine zipper kinase	0.0099	0.3628	0.5271
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0144	0.6884	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0144	0.6884	1
Schistosoma mansoni	amine GPCR	0.0144	0.6884	0.9558
Brugia malayi	Serotonin receptor	0.0144	0.6884	0.9518
Brugia malayi	Dopamine receptor protein 2	0.0144	0.6884	0.9518
Echinococcus multilocularis	neuropeptide receptor A26	0.0144	0.6884	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0144	0.6884	0.9558
Schistosoma mansoni	hypothetical protein	0.0144	0.6884	0.9558
Echinococcus granulosus	adenylate cyclase 9	0.0067	0.1307	0.1898
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0144	0.6884	1
Echinococcus granulosus	neuropeptide receptor	0.0144	0.6884	1
Onchocerca volvulus		0.0144	0.6884	0.6499
Schistosoma mansoni	amine GPCR	0.0144	0.6884	0.9558
Echinococcus granulosus	tm gpcr rhodopsin	0.0144	0.6884	1
Echinococcus granulosus	dro:myosuppressin receptor	0.0144	0.6884	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0144	0.6884	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0144	0.6884	0.9558
Echinococcus granulosus	serotonin receptor	0.0144	0.6884	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0144	0.6884	1
Brugia malayi	sulfakinin receptor protein	0.0144	0.6884	0.9518
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus multilocularis	neuropeptide receptor	0.0144	0.6884	1
Echinococcus granulosus	7tm_1 domain containing protein	0.0144	0.6884	1
Brugia malayi	hypothetical protein	0.0144	0.6884	0.9518
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0144	0.6884	1
Echinococcus granulosus	neuropeptide Y receptor	0.0144	0.6884	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0144	0.6884	1
Brugia malayi	putative neuropeptide receptor	0.0144	0.6884	0.9518
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.1307	0.0783
Brugia malayi	hypothetical protein	0.0144	0.6884	0.9518
Schistosoma mansoni	myosin xvIII	0.0144	0.6884	0.9558
Schistosoma mansoni	neuropeptide receptor	0.0144	0.6884	0.9558
Echinococcus multilocularis	somatostatin receptor	0.0144	0.6884	1
Echinococcus granulosus	g protein coupled receptor	0.0144	0.6884	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0144	0.6884	1
Echinococcus granulosus	hypothetical protein	0.0144	0.6884	1
Echinococcus granulosus	somatostatin receptor	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0144	0.6884	0.9518
Brugia malayi	Dopamine receptor protein 1	0.0144	0.6884	0.9518
Onchocerca volvulus		0.0144	0.6884	0.6499
Echinococcus granulosus	neuropeptide FF receptor 2	0.0144	0.6884	1
Echinococcus granulosus	neuropeptide s receptor	0.0144	0.6884	1
Echinococcus multilocularis	neuropeptide receptor	0.0144	0.6884	1
Schistosoma mansoni	amine GPCR	0.0144	0.6884	0.9558
Loa Loa (eye worm)	TYRA-2 protein	0.0144	0.6884	0.6842
Loa Loa (eye worm)	CAMK/CAMKL/MELK protein kinase	0.0148	0.7202	0.7188
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0144	0.6884	0.9558
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0144	0.6884	0.9558
Schistosoma mansoni	hypothetical protein	0.0144	0.6884	0.9558
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0144	0.6884	0.9558
Echinococcus granulosus	g protein coupled receptor	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Brugia malayi	hypothetical protein	0.0144	0.6884	0.9518
Onchocerca volvulus	Adenylate cyclase type 2 homolog	0.0067	0.1307	0.0235
Echinococcus granulosus	rhodopsin orphan GPCR	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0144	0.6884	0.6842
Echinococcus granulosus	orexin receptor type 2	0.0144	0.6884	1
Schistosoma mansoni	opsin-like receptor	0.0144	0.6884	0.9558
Echinococcus granulosus	neuropeptide receptor A26	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Onchocerca volvulus		0.0144	0.6884	0.6499
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0144	0.6884	0.9558
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0144	0.6884	1
Schistosoma mansoni	opsin-like receptor	0.0144	0.6884	0.9558
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus multilocularis	maternal embryonic leucine zipper kinase	0.0099	0.3628	0.5271
Brugia malayi	Melatonin receptor type 1A	0.0144	0.6884	0.9518
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0144	0.6884	0.9558
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0144	0.6884	0.9558
Schistosoma mansoni	biogenic amine receptor	0.0144	0.6884	0.9558
Brugia malayi	larval opioid receptor	0.0144	0.6884	0.9518
Schistosoma mansoni	histamine h1 receptor	0.0144	0.6884	0.9558
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0144	0.6884	0.9558
Onchocerca volvulus		0.0067	0.1307	0.0235
Echinococcus granulosus	rhodopsin orphan GPCR	0.0144	0.6884	1
Echinococcus multilocularis	neuropeptide s receptor	0.0144	0.6884	1
Brugia malayi	neuropeptide F receptor	0.0144	0.6884	0.9518
Echinococcus multilocularis	g protein coupled receptor	0.0144	0.6884	1
Trichomonas vaginalis	CAMK family protein kinase	0.0148	0.7202	1
Brugia malayi	Adenylyl cyclase protein	0.0067	0.1307	0.109
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Loa Loa (eye worm)	adenylyl cyclase 3	0.0159	0.7994	0.8048
Echinococcus granulosus	sex peptide receptor	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0144	0.6884	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0144	0.6884	0.9558
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0144	0.6884	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0144	0.6884	0.9558
Echinococcus multilocularis	fmrfamide receptor	0.0144	0.6884	1
Brugia malayi	hypothetical protein	0.0144	0.6884	0.9518
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Onchocerca volvulus		0.0144	0.6884	0.6499
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Brugia malayi	Protein kinase domain containing protein	0.0148	0.7202	1
Echinococcus granulosus	7TM GPCR rhodopsin	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0144	0.6884	0.9558
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0144	0.6884	0.6842
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0144	0.6884	0.6842
Schistosoma mansoni	serine/threonine kinase	0.0148	0.7202	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0144	0.6884	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0144	0.6884	0.9558
Brugia malayi	G-protein coupled receptor	0.0144	0.6884	0.9518
Schistosoma mansoni	opsin-like receptor	0.0144	0.6884	0.9558
Schistosoma mansoni	hypothetical protein	0.0144	0.6884	0.9558
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0144	0.6884	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0144	0.6884	0.9518
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0144	0.6884	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0144	0.6884	1
Onchocerca volvulus		0.0144	0.6884	0.6499
Onchocerca volvulus		0.0144	0.6884	0.6499
Schistosoma mansoni	amine GPCR	0.0144	0.6884	0.9558
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0144	0.6884	1
Onchocerca volvulus		0.0144	0.6884	0.6499
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0144	0.6884	0.9558
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0144	0.6884	0.6499
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0144	0.6884	0.9518
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0144	0.6884	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0144	0.6884	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0144	0.6884	0.9558
Schistosoma mansoni	neuropeptide receptor	0.0144	0.6884	0.9558
Loa Loa (eye worm)	G-protein coupled receptor	0.0144	0.6884	0.6842
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0144	0.6884	1
Onchocerca volvulus		0.0144	0.6884	0.6499
Loa Loa (eye worm)	melatonin receptor type 1A	0.0144	0.6884	0.6842
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0144	0.6884	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0144	0.6884	0.6842
Echinococcus granulosus	adenylate cyclase type IX	0.0094	0.3295	0.4786
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0144	0.6884	0.9558
Onchocerca volvulus		0.0144	0.6884	0.6499
Echinococcus multilocularis	sex peptide receptor	0.0144	0.6884	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus granulosus	g protein coupled receptor	0.0144	0.6884	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0144	0.6884	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus granulosus	neuropeptide receptor	0.0144	0.6884	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0144	0.6884	0.9518
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus granulosus	rhodopsin orphan GPCR	0.0144	0.6884	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0144	0.6884	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0144	0.6884	0.9558
Echinococcus multilocularis	adenylate cyclase type IX	0.0094	0.3295	0.4786
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0144	0.6884	0.9558
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0144	0.6884	0.9558
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Onchocerca volvulus		0.0144	0.6884	0.6499
Brugia malayi	Serotonin receptor	0.0144	0.6884	0.9518
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0144	0.6884	0.9558
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Brugia malayi	neuropeptide F receptor	0.0144	0.6884	0.9518
Onchocerca volvulus		0.0144	0.6884	0.6499
Loa Loa (eye worm)	hypothetical protein	0.0144	0.6884	0.6842
Echinococcus multilocularis	g protein coupled receptor	0.0144	0.6884	1
Onchocerca volvulus		0.0144	0.6884	0.6499
Schistosoma mansoni	growth hormone secretagogue receptor	0.0144	0.6884	0.9558
Brugia malayi	G protein-coupled receptor	0.0144	0.6884	0.9518
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0144	0.6884	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.3 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: CHEMBL3684247

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1973296