TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 463.916 | Formula: C24H22ClN5O3
H donors: 2 H acceptors: 6 LogP: 2.89 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OCC(c1ccc(cc1)Cl)C(=O)Nc1cncc(c1)C(=O)c1cn(c2c1cncn2)C(C)C
InChi: 1S/C24H22ClN5O3/c1-14(2)30-11-20(19-10-27-13-28-23(19)30)22(32)16-7-18(9-26-8-16)29-24(33)21(12-31)15-3-5-17(25)6-4-15/h3-11,13-14,21,31H,12H2,1-2H3,(H,29,33)
InChiKey: ZVRYYSJYJWHCLY-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	neurotrophic tyrosine kinase, receptor, type 1	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
Trypanosoma cruzi	NIMA-related kinase, putative	0.0006	0.0171	0.0256
Echinococcus multilocularis	Glutaredoxin protein 5	0.0078	0.6172	0.9239
Schistosoma mansoni	serine/threonine protein kinase	0.0041	0.31	0.4641
Mycobacterium leprae	putative cytochrome p450	0.0004	0	0.5
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0084	0.668	0.6662
Brugia malayi	PH domain containing protein	0.0005	0.0054	0.0054
Echinococcus multilocularis	arf GAP with SH3 domain, ANK repeat and PH	0.0005	0.0054	0.0081
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0041	0.31	0.4641
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0004	0	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0123	1	1
Brugia malayi	PH domain containing protein	0.0005	0.0054	0.0054
Brugia malayi	PH domain containing protein	0.0005	0.0054	0.0054
Leishmania major	serine/threonine-protein kinase a, putative	0.0006	0.0171	0.0396
Echinococcus granulosus	NDR protein kinase	0.0041	0.31	0.4641
Trypanosoma cruzi	hypothetical protein	0.0005	0.0054	0.0081
Echinococcus multilocularis	arf GAP with coiled coil, ANK repeat and PH	0.0005	0.0054	0.0081
Echinococcus granulosus	dynamin 1	0.0005	0.0054	0.0081
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0055	0.4314	0.6832
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0055	0.4314	0.6458
Echinococcus multilocularis	oxysterol binding protein 9	0.0005	0.0054	0.0081
Trypanosoma brucei	serine/threonine-protein kinase NrkA	0.0006	0.0171	0.0171
Brugia malayi	Protein kinase domain containing protein	0.0041	0.31	0.31
Schistosoma mansoni	vav2	0.0005	0.0054	0.0081
Echinococcus granulosus	serine:threonine protein kinase N2	0.0041	0.31	0.4641
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0041	0.31	0.31
Schistosoma mansoni	hypothetical protein	0.0005	0.0054	0.0081
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0041	0.31	0.31
Schistosoma mansoni	zinc finger protein	0.0005	0.0054	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Schistosoma mansoni	serine/threonine protein kinase	0.0041	0.31	0.4641
Schistosoma mansoni	syntrophin	0.0005	0.0054	0.0081
Schistosoma mansoni	zinc finger protein	0.0005	0.0054	0.0081
Leishmania major	protein kinase, putative	0.0006	0.0171	0.0396
Echinococcus multilocularis	protein kinase c epsilon type	0.0041	0.31	0.4641
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0041	0.31	0.4641
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0079	0.6289	0.9415
Echinococcus multilocularis	oxysterol binding protein 1	0.0005	0.0054	0.0081
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Brugia malayi	p70 ribosomal S6 kinase beta	0.0119	0.9609	0.9609
Trypanosoma cruzi	hypothetical protein	0.0005	0.0054	0.0081
Echinococcus multilocularis	beta 1 syntrophin	0.0005	0.0054	0.0081
Schistosoma mansoni	hypothetical protein	0.0005	0.0054	0.0081
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.4314	0.4283
Echinococcus granulosus	Pleckstrin y	0.0005	0.0054	0.0081
Loa Loa (eye worm)	cytochrome P450 family protein	0.0014	0.0835	0.0835
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0006	0.0171	0.0118
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0004	0	0.5
Leishmania major	protein kinase, putative	0.0006	0.0171	0.0396
Schistosoma mansoni	guanyl-nucleotide exchange factor	0.0005	0.0054	0.0081
Echinococcus granulosus	ras specific guanine nucleotide releasing factor	0.0005	0.0054	0.0081
Echinococcus granulosus	collagen type iv alpha 3 binding protein	0.0005	0.0054	0.0081
Trypanosoma cruzi	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0005	0.0054	0.0081
Schistosoma mansoni	dynamin	0.0005	0.0054	0.0081
Echinococcus multilocularis	Oxysterol binding protein 11	0.0005	0.0054	0.0081
Entamoeba histolytica	hypothetical protein	0.0006	0.0171	0.0118
Echinococcus granulosus	oxysterol binding protein 1	0.0005	0.0054	0.0081
Mycobacterium leprae	Conserved hypothetical protein	0.0004	0	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0123	1	1
Echinococcus multilocularis	Pleckstrin domain containing protein, family B	0.0005	0.0054	0.0081
Echinococcus granulosus	Glutaredoxin protein 5	0.0078	0.6172	0.9239
Brugia malayi	GTP-ase activating protein for Arf containing protein	0.0005	0.0054	0.0054
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Entamoeba histolytica	protein kinase, putative	0.0006	0.0171	0.0118
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.31	0.3063
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0055	0.4314	0.6458
Echinococcus granulosus	FERM and pleckstrin domain containing protein	0.0005	0.0054	0.0081
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0084	0.668	1
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0078	0.6172	0.9239
Brugia malayi	Syntrophin-1	0.0005	0.0054	0.0054
Leishmania major	rac serine-threonine kinase, putative,protein kinase, putative	0.0006	0.0171	0.0396
Schistosoma mansoni	serine/threonine protein kinase	0.0041	0.31	0.4641
Echinococcus granulosus	Oxysterol binding protein 11	0.0005	0.0054	0.0081
Echinococcus granulosus	pdz domain containing protein	0.0005	0.0054	0.0081
Brugia malayi	Uncoordinated protein 104	0.0005	0.0054	0.0054
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0055	0.4314	0.6458
Echinococcus granulosus	cytohesin 1	0.0005	0.0054	0.0081
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0004	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Trypanosoma cruzi	cytochrome P450, putative	0.0014	0.0835	0.125
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0041	0.31	0.31
Echinococcus granulosus	Protein kinase C brain isozyme	0.0041	0.31	0.4641
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0123	1	1
Echinococcus multilocularis	myotubularin protein 13	0.0005	0.0054	0.0081
Toxoplasma gondii	hypothetical protein	0.0005	0.0054	0.0056
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0079	0.6289	0.9415
Echinococcus multilocularis	pleckstrin y domain containing family A	0.0005	0.0054	0.0081
Schistosoma mansoni	serine/threonine kinase	0.0041	0.31	0.4641
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0041	0.31	0.4641
Schistosoma mansoni	development and differentiation-enhancing factor ddef	0.0005	0.0054	0.0081
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0004	0	0.5
Echinococcus granulosus	calcium dependent secretion activator 1	0.0005	0.0054	0.0081
Trypanosoma cruzi	PH domain containing protein, putative	0.0005	0.0054	0.0081
Echinococcus multilocularis	rac serine:threonine kinase	0.0084	0.668	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0041	0.31	0.31
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0004	0	0.5
Brugia malayi	Oxysterol binding protein	0.0005	0.0054	0.0054
Echinococcus granulosus	DCC interacting protein 13 beta	0.0005	0.0054	0.0081
Echinococcus granulosus	Pleckstrin y	0.0005	0.0054	0.0081
Toxoplasma gondii	Oxysterol-binding protein	0.0005	0.0054	0.0056
Brugia malayi	intracellular kinase	0.0055	0.4314	0.4314
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0041	0.31	0.4641
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0078	0.6172	0.9239
Echinococcus multilocularis	serine threonine protein kinase	0.0041	0.31	0.4641
Echinococcus granulosus	protein kinase c epsilon type	0.0041	0.31	0.4641
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0006	0.0171	0.0118
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0006	0.0171	0.0118
Echinococcus multilocularis	type II inositol 3,4 bisphosphate 4 phosphatase	0.0005	0.0054	0.0081
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0004	0	0.5
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0055	0.4314	0.4314
Entamoeba histolytica	protein kinase, putative	0.0119	0.9609	0.9607
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Echinococcus granulosus	Rho GTPase activating protein 24	0.0005	0.0054	0.0081
Echinococcus multilocularis	oxysterol binding protein 3	0.0005	0.0054	0.0081
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0004	0	0.5
Brugia malayi	PH domain containing protein	0.0005	0.0054	0.0054
Brugia malayi	PH domain containing protein	0.0005	0.0054	0.0054
Loa Loa (eye worm)	GTP-ase activating protein for Arf containing protein	0.0005	0.0054	0.0054
Brugia malayi	probable spectrin beta chain	0.0005	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Trichomonas vaginalis	AGC family protein kinase	0.0046	0.3491	0.3456
Brugia malayi	PH domain containing protein	0.0005	0.0054	0.0054
Echinococcus granulosus	nervana 2	0.0078	0.6172	0.9239
Toxoplasma gondii	calcium dependent protein kinase CDPK7	0.0006	0.0171	0.0178
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0041	0.31	0.31
Trichomonas vaginalis	3-phosphoinositide dependent protein kinase-1, putative	0.0006	0.0171	0.0118
Brugia malayi	Cytohesin 3	0.0005	0.0054	0.0054
Brugia malayi	PH domain containing protein	0.0005	0.0054	0.0054
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0004	0	0.5
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0055	0.4314	1
Brugia malayi	Plekhf2 protein	0.0005	0.0054	0.0054
Brugia malayi	Variant SH3 domain containing protein	0.0005	0.0054	0.0054
Plasmodium falciparum	calcium-dependent protein kinase 7	0.0006	0.0171	0.0188
Loa Loa (eye worm)	uncoordinated protein 104	0.0005	0.0054	0.0054
Entamoeba histolytica	protein kinase, putative	0.0123	1	1
Echinococcus granulosus	myotubularin protein 13	0.0005	0.0054	0.0081
Leishmania major	hypothetical protein, conserved	0.0005	0.0054	0.0125
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Echinococcus granulosus	GRB2 associated binding protein 3	0.0005	0.0054	0.0081
Trypanosoma cruzi	PH domain containing protein, putative	0.0005	0.0054	0.0081
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0004	0	0.5
Brugia malayi	PH domain containing protein	0.0005	0.0054	0.0054
Echinococcus granulosus	serine/threonine protein kinase	0.0084	0.668	1
Entamoeba histolytica	p21-activated kinase	0.0006	0.0171	0.0118
Brugia malayi	TBC domain containing protein	0.0005	0.0054	0.0054
Echinococcus multilocularis	Rho GTPase activating protein 24	0.0005	0.0054	0.0081
Leishmania major	hypothetical protein, conserved	0.0005	0.0054	0.0125
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Brugia malayi	Pleckstrin Homology Domain	0.0005	0.0054	0.0054
Loa Loa (eye worm)	PH domain-containing protein	0.0005	0.0054	0.0054
Echinococcus multilocularis	protein kinase c iota type	0.0041	0.31	0.4641
Trypanosoma brucei	Serine/threonine-protein kinase NEK21, putative	0.0006	0.0171	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Trypanosoma cruzi	hypothetical protein	0.0005	0.0054	0.0081
Echinococcus granulosus	Pleckstrin domain containing protein family B	0.0005	0.0054	0.0081
Schistosoma mansoni	phosphoinositol 4-phosphate adaptor protein	0.0005	0.0054	0.0081
Echinococcus multilocularis	nervana 2	0.0078	0.6172	0.9239
Trypanosoma cruzi	PH domain containing protein, putative	0.0005	0.0054	0.0081
Entamoeba histolytica	protein kinase 2, putative	0.0079	0.6289	0.6269
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0004	0	0.5
Brugia malayi	Cytochrome P450 family protein	0.0014	0.0835	0.0835
Brugia malayi	Cadps2 protein	0.0005	0.0054	0.0054
Loa Loa (eye worm)	cytohesin 3	0.0005	0.0054	0.0054
Loa Loa (eye worm)	syntrophin-1	0.0005	0.0054	0.0054
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Entamoeba histolytica	protein kinase domain containing protein	0.0055	0.4314	0.4283
Toxoplasma gondii	hypothetical protein	0.0005	0.0054	0.0056
Echinococcus multilocularis	DCC interacting protein 13 beta	0.0005	0.0054	0.0081
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0055	0.4314	0.4314
Plasmodium vivax	calcium-dependent protein kinase 7, putative	0.0006	0.0171	0.0188
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0004	0	0.5
Loa Loa (eye worm)	RhoGEF domain-containing protein	0.0005	0.0054	0.0054
Leishmania major	folate/biopterin transporter, putative	0.0006	0.0171	0.0396
Trypanosoma brucei	PH domain containing protein, putative	0.0005	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0041	0.31	0.4641
Toxoplasma gondii	phosphatidylinositol transfer protein	0.0005	0.0054	0.0056
Schistosoma mansoni	serine/threonine-protein kinase	0.0084	0.668	1
Schistosoma mansoni	hypothetical protein	0.0005	0.0054	0.0081
Entamoeba histolytica	protein kinase, putative	0.0006	0.0171	0.0118
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.31	0.3063
Schistosoma mansoni	goodpasture antigen-binding protein	0.0005	0.0054	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Brugia malayi	protein kinase C II.	0.0041	0.31	0.31
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Brugia malayi	GTPase-activator protein for Ras-like GTPase containing protein	0.0005	0.0054	0.0054
Echinococcus multilocularis	nervana 2	0.0078	0.6172	0.9239
Trypanosoma cruzi	PH domain containing protein, putative	0.0005	0.0054	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Trypanosoma cruzi	hypothetical protein	0.0005	0.0054	0.0081
Toxoplasma gondii	protein kinase domain-containing protein	0.0006	0.0171	0.0178
Trichomonas vaginalis	AGC family protein kinase	0.0123	1	1
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0006	0.0171	0.0256
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0041	0.31	0.4641
Schistosoma mansoni	centaurin alpha	0.0005	0.0054	0.0081
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0006	0.0171	0.0256
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0041	0.31	0.4641
Trypanosoma cruzi	hypothetical protein	0.0005	0.0054	0.0081
Entamoeba histolytica	protein kinase, putative	0.0055	0.4314	0.4283
Brugia malayi	Dynamin	0.0005	0.0054	0.0054
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0006	0.0171	0.0118
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0041	0.31	0.4641
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0004	0	0.5
Schistosoma mansoni	myotubularin-related protein	0.0005	0.0054	0.0081
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Trichomonas vaginalis	AGC family protein kinase	0.0123	1	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Echinococcus granulosus	nervana 2	0.0078	0.6172	0.9239
Onchocerca volvulus		0.0055	0.4314	1
Toxoplasma gondii	AtPH1 family protein	0.0005	0.0054	0.0056
Giardia lamblia	Kinase, AGC PKA	0.0079	0.6289	1
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.004	0.2983	0.2945
Trichomonas vaginalis	ribosomal protein S6 kinase, 90kD, polypeptide, putative	0.0006	0.0171	0.0118
Brugia malayi	Protein kinase domain containing protein	0.0041	0.31	0.31
Entamoeba histolytica	protein kinase domain containing protein	0.0055	0.4314	0.4283
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0055	0.4314	0.6458
Schistosoma mansoni	goodpasture antigen-binding protein	0.0005	0.0054	0.0081
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0004	0	0.5
Echinococcus granulosus	arf GAP with SH3 domain ANK repeat and PH	0.0005	0.0054	0.0081
Schistosoma mansoni	growth factor receptor-bound protein	0.0005	0.0054	0.0081
Echinococcus granulosus	oxysterol binding protein 9	0.0005	0.0054	0.0081
Echinococcus granulosus	arf GAP with coiled coil ANK repeat and PH	0.0005	0.0054	0.0081
Trypanosoma cruzi	hypothetical protein	0.0005	0.0054	0.0081
Entamoeba histolytica	protein kinase, putative	0.0006	0.0171	0.0118
Brugia malayi	Dynamin	0.0005	0.0054	0.0054
Echinococcus granulosus	protein kinase C gamma type	0.0041	0.31	0.4641
Echinococcus multilocularis	ras specific guanine nucleotide releasing factor	0.0005	0.0054	0.0081
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0004	0	0.5
Echinococcus multilocularis	dynamin 1	0.0005	0.0054	0.0081
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.31	0.3063
Echinococcus multilocularis	Arf GAP and Pleckstrin domain containing protein	0.0005	0.0054	0.0081
Echinococcus multilocularis	actin binding protein anillin	0.0005	0.0054	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.4314	0.4283
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0006	0.0171	0.0256
Echinococcus multilocularis	pdz domain containing protein	0.0005	0.0054	0.0081
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Trypanosoma cruzi	cytochrome P450, putative	0.0014	0.0835	0.125
Brugia malayi	Variant SH3 domain containing protein	0.0005	0.0054	0.0054
Brugia malayi	Cytochrome P450 family protein	0.0014	0.0835	0.0835
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Schistosoma mansoni	rhogef and pleckstrin domain protein	0.0005	0.0054	0.0081
Entamoeba histolytica	protein kinase, putative	0.0006	0.0171	0.0118
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0006	0.0171	0.0256
Trypanosoma cruzi	ADP-ribosylation factor family, putative	0.0005	0.0054	0.0081
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0041	0.31	0.31
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0084	0.668	0.6662
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0041	0.31	0.4641
Echinococcus granulosus	serine threonine protein kinase nrc	0.0079	0.6289	0.9415
Schistosoma mansoni	dynamin	0.0005	0.0054	0.0081
Schistosoma mansoni	oxysterol-binding protein 1	0.0005	0.0054	0.0081
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Echinococcus granulosus	protein kinase shaggy	0.0055	0.4314	0.6458
Trypanosoma brucei	protein kinase, putative	0.0055	0.4314	0.4314
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0079	0.6289	1
Schistosoma mansoni	serine/threonine protein kinase	0.0041	0.31	0.4641
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Trypanosoma cruzi	NEK family Serine/threonine-protein kinase, putative	0.0006	0.0171	0.0256
Loa Loa (eye worm)	hypothetical protein	0.001	0.0498	0.0498
Leishmania major	cytochrome p450-like protein	0.0014	0.0835	0.1935
Brugia malayi	MAX-1A	0.0005	0.0054	0.0054
Echinococcus multilocularis	calcium dependent secretion activator 1	0.0005	0.0054	0.0081
Trypanosoma brucei	serine/threonine-protein kinase NRKB, putative	0.0006	0.0171	0.0171
Echinococcus multilocularis	protein kinase shaggy	0.0055	0.4314	0.6458
Echinococcus granulosus	pleckstrin y domain containing family A	0.0005	0.0054	0.0081
Trypanosoma brucei	protein kinase, putative	0.0006	0.0171	0.0171
Brugia malayi	hypothetical protein	0.0005	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Schistosoma mansoni	serine/threonine protein kinase	0.0041	0.31	0.4641
Echinococcus multilocularis	GRB2 associated binding protein 3	0.0005	0.0054	0.0081
Schistosoma mansoni	serine/threonine-protein kinase	0.0084	0.668	1
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0004	0	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0123	1	1
Brugia malayi	Oxysterol-binding protein	0.0005	0.0054	0.0054
Echinococcus multilocularis	Pleckstrin y	0.0005	0.0054	0.0081
Echinococcus multilocularis	Pleckstrin y	0.0005	0.0054	0.0081
Echinococcus granulosus	beta 1 syntrophin	0.0005	0.0054	0.0081
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0006	0.0171	0.0256
Trypanosoma cruzi	NEK family Serine/threonine-protein kinase, putative	0.0005	0.0054	0.0081
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Loa Loa (eye worm)	cytochrome P450 family protein	0.0014	0.0835	0.0835
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0055	0.4314	0.4489
Echinococcus granulosus	type II inositol 34 bisphosphate 4 phosphatase	0.0005	0.0054	0.0081
Brugia malayi	GTP-ase activating protein for Arf containing protein	0.0005	0.0054	0.0054
Loa Loa (eye worm)	GTP-ase activating protein for Arf containing protein	0.0005	0.0054	0.0054
Schistosoma mansoni	rho gtpase activating protein	0.0005	0.0054	0.0081
Brugia malayi	Hr1 repeat family protein	0.0041	0.31	0.31
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0005	0.0054	0.0054
Trypanosoma cruzi	hypothetical protein	0.0005	0.0054	0.0081
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0006	0.0171	0.0256
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0014	0.0835	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Entamoeba histolytica	protein kinase, putative	0.0123	1	1
Schistosoma mansoni	hypothetical protein	0.0005	0.0054	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Echinococcus granulosus	Arf GAP and Pleckstrin domain containing protein	0.0005	0.0054	0.0081
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0079	0.6289	0.9415
Trypanosoma cruzi	serine/threonine-protein kinase NRKB, putative	0.0006	0.0171	0.0256
Entamoeba histolytica	protein kinase, putative	0.0041	0.31	0.3063
Echinococcus multilocularis	cytohesin 1	0.0005	0.0054	0.0081
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0004	0	0.5
Schistosoma mansoni	hypothetical protein	0.0005	0.0054	0.0081
Trypanosoma cruzi	NIMA-related kinase, putative	0.0006	0.0171	0.0256
Echinococcus granulosus	Pleckstrin y	0.0005	0.0054	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Schistosoma mansoni	serine/threonine protein kinase	0.0041	0.31	0.4641
Loa Loa (eye worm)	Plekhf2 protein	0.0005	0.0054	0.0054
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0123	1	1
Entamoeba histolytica	protein kinase, putative	0.0006	0.0171	0.0118
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	0.0006	0.0171	0.0396
Schistosoma mansoni	serine/threonine protein kinase	0.0041	0.31	0.4641
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0004	0	0.5
Loa Loa (eye worm)	CYP4Cod1	0.0014	0.0835	0.0835
Plasmodium falciparum	glycogen synthase kinase 3	0.0055	0.4314	0.6832
Brugia malayi	PH domain containing protein	0.0005	0.0054	0.0054
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0004	0	0.5
Echinococcus granulosus	protein kinase c iota type	0.0041	0.31	0.4641
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Schistosoma mansoni	oxysterol-binding protein 1	0.0005	0.0054	0.0081
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0004	0	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0123	1	1
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0119	0.9609	0.9609
Schistosoma mansoni	atypical protein kinase C	0.0041	0.31	0.4641
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0079	0.6289	1
Toxoplasma gondii	AGC kinase	0.0119	0.9609	1
Loa Loa (eye worm)	oxysterol binding protein	0.0005	0.0054	0.0054
Echinococcus multilocularis	collagen type iv alpha 3 binding protein	0.0005	0.0054	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0054	0.0054
Loa Loa (eye worm)	rho-GTPase-activating	0.0005	0.0054	0.0054
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0041	0.31	0.31
Echinococcus multilocularis	Ras associated and pleckstrin y	0.0005	0.0054	0.0081
Entamoeba histolytica	hypothetical protein	0.0006	0.0171	0.0118
Echinococcus multilocularis	Pleckstrin y	0.0005	0.0054	0.0081
Echinococcus multilocularis	FERM and pleckstrin domain containing protein	0.0005	0.0054	0.0081
Trichomonas vaginalis	AGC family protein kinase	0.0006	0.0171	0.0118
Trypanosoma brucei	NEK family Serine/threonine-protein kinase, putative	0.0006	0.0171	0.0171
Echinococcus granulosus	oxysterol binding protein 3	0.0005	0.0054	0.0081
Trypanosoma cruzi	Protein kinase B	0.0084	0.668	1
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0004	0	0.5
Trypanosoma brucei	cytochrome P450, putative	0.0014	0.0835	0.0835
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0041	0.31	0.4641
Trichomonas vaginalis	AGC family protein kinase	0.0123	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 92.7 nM	BindingDB_Patents: Enzyme Assay. Isolated TRK Enzyme assays use the HTRF KinEASE-TK kit (Cisbio Cat# 62TK0PEJ) with recombinant His-tagged cytoplasmic domains of each TRK receptor sourced from Invitrogen (see table below). This activity-assay measures the phosphorylation of tyrosine residues within a substrate from the HTRF kit which has been validated by Cisbio for a variety of tyrosine kinases including the TRK receptors. Assay details: Target:TRKA; Invitrogen Cat# PV3144; Amino acids:aa 441-796; FAC enzyme:4nM; FAC ATP:40uM; Assay Reaction Time:35min.	ChEMBL.	No reference
IC50 (binding)	= 92.7 nM	Enzyme Assay	BINDINGDB.	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: CHEMBL3671399

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1963971