TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 381.407 | Formula: C19H20FN7O
H donors: 1 H acceptors: 4 LogP: 1.07 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cnc(c(c1)[C@H]1CCCN1c1ccn2c(n1)c(cn2)C(=O)N1CCC1)N
InChi: 1S/C19H20FN7O/c20-12-9-13(17(21)22-10-12)15-3-1-7-26(15)16-4-8-27-18(24-16)14(11-23-27)19(28)25-5-2-6-25/h4,8-11,15H,1-3,5-7H2,(H2,21,22)/t15-/m1/s1
InChiKey: IHXVXJVXFFLYQL-OAHLLOKOSA-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	neurotrophic tyrosine kinase, receptor, type 1	Starlite/ChEMBL	No references
Homo sapiens	Janus kinase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	amine GPCR	0.0011	0.107	0.107
Schistosoma mansoni	hypothetical protein	0.0011	0.107	0.107
Echinococcus multilocularis	tubulin beta 1 chain	0.0026	1	1
Schistosoma mansoni	tubulin subunit beta	0.0026	1	1
Leishmania major	beta tubulin	0.0026	1	0.5
Schistosoma mansoni	neuropeptide receptor	0.0011	0.107	0.107
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0011	0.107	0.107
Toxoplasma gondii	beta-1 tubulin, putative	0.0026	1	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0011	0.107	0.107
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0011	0.107	0.107
Onchocerca volvulus		0.0011	0.107	1
Echinococcus granulosus	allatostatin A receptor	0.0011	0.107	0.107
Leishmania major	beta tubulin	0.0026	1	0.5
Echinococcus granulosus	neuropeptide receptor	0.0011	0.107	0.107
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0026	1	1
Echinococcus granulosus	somatostatin receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0011	0.107	0.107
Leishmania major	beta tubulin	0.0026	1	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0011	0.107	0.107
Echinococcus granulosus	g protein coupled receptor	0.0011	0.107	0.107
Brugia malayi	G protein-coupled receptor F59B2.13	0.0011	0.107	0.107
Trichomonas vaginalis	tubulin alpha chain, putative	0.0026	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Leishmania major	beta tubulin	0.0026	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0011	0.107	0.107
Echinococcus granulosus	g-protein coupled receptor	0.0011	0.107	0.107
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0011	0.107	0.107
Echinococcus granulosus	beta tubulin	0.0026	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Brugia malayi	Dopamine receptor protein 1	0.0011	0.107	0.107
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0011	0.107	0.107
Trypanosoma brucei	beta tubulin	0.0026	1	0.5
Onchocerca volvulus		0.0011	0.107	1
Schistosoma mansoni	opsin-like receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Echinococcus granulosus	neuropeptide Y receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0011	0.107	0.107
Brugia malayi	Dopamine receptor protein 2	0.0011	0.107	0.107
Schistosoma mansoni	tubulin subunit beta	0.0026	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Echinococcus multilocularis	somatostatin receptor	0.0011	0.107	0.107
Brugia malayi	hypothetical protein	0.0011	0.107	0.107
Echinococcus granulosus	neuropeptide receptor	0.0011	0.107	0.107
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0011	0.107	0.107
Trypanosoma brucei	beta tubulin	0.0026	1	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0011	0.107	0.107
Echinococcus granulosus	biogenic amine 5HT receptor	0.0011	0.107	0.107
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Trypanosoma cruzi	beta tubulin, putative	0.0026	1	0.5
Brugia malayi	hypothetical protein	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Brugia malayi	RE15519p	0.0011	0.107	0.107
Schistosoma mansoni	tubulin subunit beta	0.0026	1	1
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0011	0.107	0.107
Schistosoma mansoni	hypothetical protein	0.0011	0.107	0.107
Loa Loa (eye worm)	G-protein coupled receptor	0.0011	0.107	0.107
Brugia malayi	hypothetical protein	0.0011	0.107	0.107
Echinococcus granulosus	rhodopsin orphan GPCR	0.0011	0.107	0.107
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0011	0.107	0.107
Entamoeba histolytica	tubulin family protein	0.0026	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0011	0.107	0.107
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Onchocerca volvulus		0.0011	0.107	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0011	0.107	0.107
Brugia malayi	neuropeptide F receptor	0.0011	0.107	0.107
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0011	0.107	0.107
Leishmania major	beta tubulin	0.0026	1	0.5
Echinococcus multilocularis	serotonin receptor	0.0011	0.107	0.107
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0011	0.107	0.107
Brugia malayi	G-protein coupled receptor	0.0011	0.107	0.107
Brugia malayi	putative neuropeptide receptor	0.0011	0.107	0.107
Schistosoma mansoni	tubulin subunit beta	0.0026	1	1
Schistosoma mansoni	biogenic amine receptor	0.0011	0.107	0.107
Schistosoma mansoni	neuropeptide receptor	0.0011	0.107	0.107
Brugia malayi	larval opioid receptor	0.0011	0.107	0.107
Onchocerca volvulus		0.0011	0.107	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0011	0.107	0.107
Brugia malayi	Melatonin receptor type 1A	0.0011	0.107	0.107
Echinococcus granulosus	tubulin beta 4A class IVa	0.0026	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0011	0.107	0.107
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0011	0.107	0.107
Loa Loa (eye worm)	BEN-1 protein	0.0026	1	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0011	0.107	0.107
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0011	0.107	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0011	0.107	0.107
Schistosoma mansoni	adenoreceptor	0.0011	0.107	0.107
Echinococcus granulosus	Tubulin beta 2C chain	0.0026	1	1
Entamoeba histolytica	tubulin family protein	0.0026	1	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Schistosoma mansoni	amine GPCR	0.0011	0.107	0.107
Schistosoma mansoni	tubulin subunit beta	0.0026	1	1
Leishmania major	beta tubulin	0.0026	1	0.5
Schistosoma mansoni	biogenic amine receptor	0.0011	0.107	0.107
Leishmania major	beta tubulin	0.0026	1	0.5
Giardia lamblia	Beta tubulin	0.0026	1	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0011	0.107	0.107
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0011	0.107	0.107
Onchocerca volvulus		0.0011	0.107	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0011	0.107	0.107
Brugia malayi	beta-tubulin, identical	0.0026	1	1
Onchocerca volvulus		0.0011	0.107	1
Echinococcus granulosus	7tm_1 domain containing protein	0.0011	0.107	0.107
Schistosoma mansoni	neuropeptide F-like receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Echinococcus multilocularis	neuropeptide receptor A26	0.0011	0.107	0.107
Schistosoma mansoni	neuropeptide receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Echinococcus granulosus	neuropeptide FF receptor 2	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Brugia malayi	GnHR receptor homolog	0.0011	0.107	0.107
Echinococcus multilocularis	orexin receptor type 2	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Echinococcus granulosus	neuropeptide receptor A26	0.0011	0.107	0.107
Trypanosoma brucei	beta tubulin	0.0026	1	0.5
Leishmania major	beta tubulin	0.0026	1	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0011	0.107	0.107
Brugia malayi	sulfakinin receptor protein	0.0011	0.107	0.107
Brugia malayi	follicle stimulating hormone receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0011	0.107	0.107
Leishmania major	beta tubulin	0.0026	1	0.5
Giardia lamblia	Beta tubulin	0.0026	1	0.5
Toxoplasma gondii	beta-tubulin, putative	0.0026	1	0.5
Leishmania major	beta tubulin	0.0026	1	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.0011	0.107	0.107
Echinococcus granulosus	rhodopsin orphan GPCR	0.0011	0.107	0.107
Schistosoma mansoni	opsin-like receptor	0.0011	0.107	0.107
Schistosoma mansoni	histamine h1 receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Echinococcus multilocularis	Tubulin beta 2C chain	0.0026	1	1
Onchocerca volvulus		0.0011	0.107	1
Onchocerca volvulus		0.0011	0.107	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0011	0.107	0.107
Onchocerca volvulus		0.0011	0.107	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0011	0.107	0.107
Echinococcus multilocularis	neuropeptide Y receptor	0.0011	0.107	0.107
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0011	0.107	0.107
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0011	0.107	0.107
Echinococcus granulosus	g protein coupled receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Echinococcus granulosus	tm gpcr rhodopsin	0.0011	0.107	0.107
Echinococcus multilocularis	Tubulin beta 2C chain	0.0026	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0026	1	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0011	0.107	0.107
Brugia malayi	hypothetical protein	0.0011	0.107	0.107
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0011	0.107	0.107
Echinococcus multilocularis	Tubulin beta 2C chain	0.0026	1	1
Echinococcus multilocularis	sex peptide receptor	0.0011	0.107	0.107
Echinococcus multilocularis	neuropeptide receptor	0.0011	0.107	0.107
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0011	0.107	0.107
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Leishmania major	beta tubulin	0.0026	1	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0011	0.107	0.107
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0011	0.107	0.107
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0011	0.107	0.107
Echinococcus multilocularis	neuropeptide s receptor	0.0011	0.107	0.107
Echinococcus multilocularis	neuropeptide receptor	0.0011	0.107	0.107
Giardia lamblia	Beta tubulin	0.0026	1	0.5
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Schistosoma mansoni	hypothetical protein	0.0011	0.107	0.107
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0011	0.107	0.107
Echinococcus multilocularis	beta tubulin	0.0026	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Echinococcus multilocularis	serotonin receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	melatonin receptor type 1A	0.0011	0.107	0.107
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0011	0.107	0.107
Echinococcus multilocularis	Tubulin beta 2C chain	0.0026	1	1
Toxoplasma gondii	beta tubulin	0.0026	1	0.5
Echinococcus multilocularis	fmrfamide receptor	0.0011	0.107	0.107
Echinococcus multilocularis	tubulin subunit beta	0.0026	1	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0011	0.107	0.107
Echinococcus multilocularis	Tubulin beta 2C chain	0.0026	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0026	1	0.5
Schistosoma mansoni	neuropeptide f receptor 76f	0.0011	0.107	0.107
Onchocerca volvulus		0.0011	0.107	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Leishmania major	beta tubulin	0.0026	1	0.5
Schistosoma mansoni	growth hormone secretagogue receptor	0.0011	0.107	0.107
Echinococcus granulosus	Tubulin beta 2C chain	0.0026	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0011	0.107	0.107
Echinococcus multilocularis	dro:myosuppressin receptor	0.0011	0.107	0.107
Schistosoma mansoni	amine GPCR	0.0011	0.107	0.107
Echinococcus granulosus	rhodopsin orphan GPCR	0.0011	0.107	0.107
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Echinococcus granulosus	g protein coupled receptor	0.0011	0.107	0.107
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0011	0.107	0.107
Onchocerca volvulus		0.0011	0.107	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0011	0.107	0.107
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	tubulin beta chain	0.0026	1	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0011	0.107	0.107
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Echinococcus granulosus	Tubulin beta 2C chain	0.0026	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0011	0.107	0.107
Echinococcus granulosus	G protein coupled receptor 139	0.0011	0.107	0.107
Brugia malayi	G-protein coupled receptor	0.0011	0.107	0.107
Schistosoma mansoni	neuropeptide receptor	0.0011	0.107	0.107
Onchocerca volvulus		0.0011	0.107	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0011	0.107	0.107
Brugia malayi	AKH receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Schistosoma mansoni	opsin-like receptor	0.0011	0.107	0.107
Echinococcus multilocularis	g protein coupled receptor	0.0011	0.107	0.107
Echinococcus granulosus	hypothetical protein	0.0011	0.107	0.107
Echinococcus multilocularis	g-protein coupled receptor	0.0011	0.107	0.107
Echinococcus granulosus	Tubulin beta 2C chain	0.0026	1	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0011	0.107	0.107
Echinococcus granulosus	7TM GPCR rhodopsin	0.0011	0.107	0.107
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0011	0.107	0.107
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Loa Loa (eye worm)	beta-tubulin	0.0026	1	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0011	0.107	0.107
Brugia malayi	Dopamine receptor	0.0011	0.107	0.107
Echinococcus multilocularis	G protein coupled receptor 139	0.0011	0.107	0.107
Brugia malayi	hypothetical protein	0.0011	0.107	0.107
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0011	0.107	0.107
Echinococcus granulosus	tubulin subunit beta	0.0026	1	1
Schistosoma mansoni	amine GPCR	0.0011	0.107	0.107
Schistosoma mansoni	myosin xvIII	0.0011	0.107	0.107
Echinococcus granulosus	biogenic amine 5HT receptor	0.0011	0.107	0.107
Schistosoma mansoni	tubulin subunit beta	0.0026	1	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	neuropeptide F receptor	0.0011	0.107	0.107
Brugia malayi	hypothetical protein	0.0011	0.107	0.107
Echinococcus granulosus	neuropeptides capa receptor	0.0011	0.107	0.107
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0026	1	0.5
Plasmodium falciparum	tubulin beta chain	0.0026	1	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0011	0.107	0.107
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0011	0.107	0.107
Echinococcus multilocularis	beta tubulin	0.0026	1	1
Echinococcus multilocularis	fmrfamide receptor	0.0011	0.107	0.107
Brugia malayi	hypothetical protein	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Leishmania major	beta tubulin	0.0026	1	0.5
Brugia malayi	Serotonin receptor	0.0011	0.107	0.107
Schistosoma mansoni	biogenic amine receptor	0.0011	0.107	0.107
Leishmania major	beta tubulin	0.0026	1	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0011	0.107	0.107
Loa Loa (eye worm)	TYRA-2 protein	0.0011	0.107	0.107
Brugia malayi	hypothetical protein	0.0011	0.107	0.107
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Plasmodium vivax	tubulin beta chain, putative	0.0026	1	0.5
Leishmania major	beta tubulin	0.0026	1	0.5
Schistosoma mansoni	hypothetical protein	0.0011	0.107	0.107
Loa Loa (eye worm)	tubulin beta-1 chain	0.0026	1	1
Echinococcus granulosus	beta tubulin	0.0026	1	1
Echinococcus granulosus	orexin receptor type 2	0.0011	0.107	0.107
Trypanosoma brucei	beta tubulin	0.0026	1	0.5
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0026	1	0.5
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0011	0.107	1
Echinococcus multilocularis	allatostatin A receptor	0.0011	0.107	0.107
Echinococcus granulosus	neuropeptide Y receptor	0.0011	0.107	0.107
Brugia malayi	Serotonin receptor	0.0011	0.107	0.107
Echinococcus multilocularis	g protein coupled receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Loa Loa (eye worm)	tubulin beta-2A chain	0.0026	1	1
Onchocerca volvulus		0.0011	0.107	1
Onchocerca volvulus		0.0011	0.107	1
Brugia malayi	ORL1-like opioid receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Echinococcus granulosus	serotonin receptor	0.0011	0.107	0.107
Schistosoma mansoni	amine GPCR	0.0011	0.107	0.107
Loa Loa (eye worm)	neuropeptide F receptor	0.0011	0.107	0.107
Onchocerca volvulus		0.0011	0.107	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0011	0.107	0.107
Echinococcus granulosus	sex peptide receptor	0.0011	0.107	0.107
Leishmania major	beta tubulin	0.0026	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Brugia malayi	neuropeptide F receptor	0.0011	0.107	0.107
Echinococcus granulosus	fmrfamide receptor	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Loa Loa (eye worm)	BEN-1 protein	0.0026	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0011	0.107	0.107
Leishmania major	beta tubulin	0.0026	1	0.5
Onchocerca volvulus		0.0011	0.107	1
Brugia malayi	G protein-coupled receptor	0.0011	0.107	0.107
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0011	0.107	0.107
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0011	0.107	0.107
Onchocerca volvulus		0.0011	0.107	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Loa Loa (eye worm)	hypothetical protein	0.0011	0.107	0.107
Echinococcus granulosus	rhodopsin orphan GPCR	0.0011	0.107	0.107
Leishmania major	beta tubulin	0.0026	1	0.5
Trichomonas vaginalis	tubulin, putative	0.0026	1	0.5
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0011	0.107	0.107
Loa Loa (eye worm)	G-protein coupled receptor	0.0011	0.107	0.107
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0011	0.107	0.107
Echinococcus granulosus	tubulin beta 1 chain	0.0026	1	1
Brugia malayi	hypothetical protein	0.0011	0.107	0.107
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0011	0.107	0.107
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0011	0.107	0.107
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0011	0.107	0.107
Echinococcus granulosus	neuropeptide s receptor	0.0011	0.107	0.107
Trichomonas vaginalis	tubulin beta chain, putative	0.0026	1	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0011	0.107	0.107
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0011	0.107	0.107
Loa Loa (eye worm)	tubulin beta-4 chain	0.0026	1	1
Brugia malayi	hypothetical protein	0.0011	0.107	0.107

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 49.3 nM	BindingDB_Patents: ELISA Assay. An enzyme-linked immunosorbant assay (ELISA) was used to assess TrkA kinase activity in the presence of inhibitors. Immulon 4HBX 384-well microtiter plates (Thermo part #8755) were coated with a 0.025 mg/mL solution of poly (Glu, Ala, Tyr; 6:3:1; Sigma P3899). Various concentrations of test compound, 2.5 nM TrkA (Invitrogen Corp., histidine-tagged recombinant human TrkA, cytoplasmic domain), and 500 uM ATP were incubated for 25 minutes at ambient temperature in the coated plates while shaking The assay buffer consisted of 25 mM MOPS pH 7.5, 0.005% (v/v) Triton X-100 and 5 mM MgCl2. The reaction mixture was removed from the plate by washing with PBS containing 0.1% (v/v) Tween 20. The phosphorylated reaction product was detected using 0.2 ug/mL of a phosphotyrosine specific monoclonal antibody (clone PY20) conjugated to horseradish peroxidase in conjunction with the TMB Peroxidase Substrate System (KPL).	ChEMBL.	No reference
IC50 (binding)	= 49.3 nM	ELISA Assay	BINDINGDB.	No reference
IC50 (binding)	> 1000 nM	BindingDB_Patents: Inhibition Assay. Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture contained 500 µM ATP, 10 µM Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 4 nM Jak2 in a total volume of 20 µL. Human Jak2 kinase domain comprising amino acids 808-1132 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4210).	ChEMBL.	No reference
IC50 (binding)	> 1000 nM	BindingDB_Patents: Inhibition Assay. Compounds of Formula I were screened for their ability to inhibit Jak2 using the general enzyme inhibition assay method, in which the assay mixture contained 500 µM ATP, 10 µM Omnia Y7 peptide (Catalog # IVGN KNZ3071C, Invitrogen Corporation, Carlsbad, Calif.) and 4 nM Jak2 in a total volume of 20 µL. Human Jak2 kinase domain comprising amino acids 808-1132 was purchased from Invitrogen Corporation, Carlsbad, Calif. (catalog # IVGN PV4210).	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.

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External resources for this compound

ChEMBL: CHEMBL3676086

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1976482