TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 420.488 | Formula: C21H20N6O2S
H donors: 1 H acceptors: 6 LogP: 2.26 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ncc(nc1c1nnn(c1)c1ccccc1)c1ccc(cc1)S(=O)(=O)C(C)C
InChi: 1S/C21H20N6O2S/c1-14(2)30(28,29)17-10-8-15(9-11-17)18-12-23-21(22)20(24-18)19-13-27(26-25-19)16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23)
InChiKey: GJAQQKJDEHDCCU-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	ATR serine/threonine kinase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128386	All targets in OG5_128386
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_128386	All targets in OG5_128386
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	Get druggable targets OG5_128386	All targets in OG5_128386
Leishmania infantum	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Leishmania major	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Leishmania donovani	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Leishmania mexicana	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Trypanosoma brucei gambiense	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_128386	All targets in OG5_128386
Cryptosporidium hominis	ataxia telangiectasia and Rad3-related protein	Get druggable targets OG5_128386	All targets in OG5_128386
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	Get druggable targets OG5_128386	All targets in OG5_128386
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128386	All targets in OG5_128386
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Babesia bovis	phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_128386	All targets in OG5_128386
Schistosoma japonicum	Serine/threonine-protein kinase atr, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128386	All targets in OG5_128386
Candida albicans	potential phosphatidylinositol kinase similar to S. cerevisiae MEC1 (YBR136W) involved in DNA repair and recombination	Get druggable targets OG5_128386	All targets in OG5_128386
Cryptosporidium parvum	FRP1 like protein involved in DNA repair with a FAT domain and a phosphatidylinositol kinase domain at the C-terminus	Get druggable targets OG5_128386	All targets in OG5_128386
Loa Loa (eye worm)	phosphatidylinositol 3	Get druggable targets OG5_128386	All targets in OG5_128386
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	Get druggable targets OG5_128386	All targets in OG5_128386
Neospora caninum	phosphatidylinositol 3- and 4-kinase domain- containing protein, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Schistosoma japonicum	ko:K06640 ataxia telangiectasia and Rad3 related, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Schistosoma japonicum	Serine/threonine-protein kinase ATR, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Candida albicans	potential phosphatidylinositol kinase similar to S. cerevisiae MEC1 (YBR136W) involved in DNA repair and recombination	Get druggable targets OG5_128386	All targets in OG5_128386
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	Get druggable targets OG5_128386	All targets in OG5_128386
Leishmania braziliensis	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_128386	All targets in OG5_128386
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_128386	All targets in OG5_128386
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_128386	All targets in OG5_128386

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
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Brugia malayi	hypothetical protein	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Brugia malayi	hypothetical protein	0.0023	0.1452	0.0202
Onchocerca volvulus		0.0023	0.1452	0.5
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	biogenic amine receptor	0.0023	0.1452	0.0202
Brugia malayi	hypothetical protein	0.0023	0.1452	0.0202
Echinococcus granulosus	neuropeptide receptor A26	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0023	0.1452	0.0202
Onchocerca volvulus		0.0023	0.1452	0.5
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0025	0.1769	1
Echinococcus granulosus	serotonin receptor	0.0023	0.1452	0.0202
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0023	0.1452	0.0202
Brugia malayi	Dopamine receptor protein 1	0.0023	0.1452	0.0202
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0023	0.1452	0.0202
Echinococcus granulosus	neuropeptide receptor	0.0023	0.1452	0.0202
Brugia malayi	hypothetical protein	0.0023	0.1452	0.0202
Echinococcus multilocularis	neuropeptide Y receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.1769	0.5481
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Echinococcus granulosus	biogenic amine 5HT receptor	0.0023	0.1452	0.0202
Brugia malayi	follicle stimulating hormone receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	G-protein coupled receptor	0.0023	0.1452	0.4627
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Echinococcus granulosus	g protein coupled receptor	0.0023	0.1452	0.0202
Brugia malayi	putative neuropeptide receptor NPR1	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Schistosoma mansoni	opsin-like receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	neuropeptide f receptor 76f	0.0023	0.1452	0.0202
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Brugia malayi	hypothetical protein	0.0023	0.1452	0.0202
Schistosoma mansoni	hypothetical protein	0.0023	0.1452	0.0202
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.1452	0.0202
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0.1276	0.3851
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Echinococcus granulosus	neuropeptide Y receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	melatonin receptor type 1A	0.0023	0.1452	0.4627
Onchocerca volvulus		0.0023	0.1452	0.5
Echinococcus granulosus	allatostatin A receptor	0.0023	0.1452	0.0202
Echinococcus multilocularis	allatostatin A receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	adenoreceptor	0.0023	0.1452	0.0202
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0023	0.1452	0.0202
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Brugia malayi	neuropeptide F receptor	0.0023	0.1452	0.0202
Echinococcus granulosus	somatostatin receptor	0.0023	0.1452	0.0202
Brugia malayi	hypothetical protein	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Loa Loa (eye worm)	neuropeptide F receptor	0.0023	0.1452	0.4627
Echinococcus granulosus	biogenic amine 5HT receptor	0.0023	0.1452	0.0202
Echinococcus multilocularis	neuropeptide receptor	0.0023	0.1452	0.0202
Echinococcus granulosus	g-protein coupled receptor	0.0023	0.1452	0.0202
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.1452	0.0202
Onchocerca volvulus		0.0023	0.1452	0.5
Schistosoma mansoni	amine GPCR	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Onchocerca volvulus		0.0023	0.1452	0.5
Schistosoma mansoni	biogenic amine receptor	0.0023	0.1452	0.0202
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0083	1	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0023	0.1452	0.0202
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.1452	0.0202
Schistosoma mansoni	neuropeptide receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	biogenic amine receptor	0.0023	0.1452	0.0202
Echinococcus multilocularis	neuropeptide receptor A26	0.0023	0.1452	0.0202
Echinococcus multilocularis	neuropeptide s receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0023	0.1452	0.4627
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0.1276	0.3851
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0023	0.1452	0.0202
Echinococcus granulosus	rhodopsin orphan GPCR	0.0023	0.1452	0.0202
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.1452	0.0202
Schistosoma mansoni	myosin xvIII	0.0023	0.1452	0.0202
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0023	0.1452	0.4627
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Loa Loa (eye worm)	phosphatidylinositol 3	0.0035	0.3137	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Echinococcus granulosus	neuropeptides capa receptor	0.0023	0.1452	0.0202
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0083	1	1
Echinococcus granulosus	sex peptide receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0023	0.1452	0.0202
Brugia malayi	Serotonin receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.1452	0.0202
Brugia malayi	hypothetical protein	0.0023	0.1452	0.0202
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Schistosoma mansoni	neuropeptide F-like receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0023	0.1452	0.4627
Giardia lamblia	GTOR	0.0022	0.1276	0.5
Echinococcus granulosus	G protein coupled receptor 139	0.0023	0.1452	0.0202
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0023	0.1452	0.0202
Echinococcus granulosus	g protein coupled receptor	0.0023	0.1452	0.0202
Echinococcus granulosus	g protein coupled receptor	0.0023	0.1452	0.0202
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0023	0.1452	0.0202
Echinococcus multilocularis	dro:myosuppressin receptor	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Echinococcus granulosus	rhodopsin orphan GPCR	0.0023	0.1452	0.0202
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0083	1	1
Brugia malayi	G protein-coupled receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0014	0.011	0.0351
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0023	0.1452	0.0202
Brugia malayi	Dopamine receptor protein 2	0.0023	0.1452	0.0202
Loa Loa (eye worm)	TYRA-2 protein	0.0023	0.1452	0.4627
Echinococcus granulosus	neuropeptide Y receptor	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Brugia malayi	larval opioid receptor	0.0023	0.1452	0.0202
Brugia malayi	ORL1-like opioid receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Schistosoma mansoni	hypothetical protein	0.0023	0.1452	0.0202
Echinococcus granulosus	fmrfamide receptor	0.0023	0.1452	0.0202
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Brugia malayi	G protein-coupled receptor F59B2.13	0.0023	0.1452	0.0202
Echinococcus multilocularis	sex peptide receptor	0.0023	0.1452	0.0202
Brugia malayi	sulfakinin receptor protein	0.0023	0.1452	0.0202
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.1452	0.0202
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0023	0.1452	0.0202
Echinococcus granulosus	rhodopsin orphan GPCR	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Schistosoma mansoni	amine GPCR	0.0023	0.1452	0.0202
Brugia malayi	Melatonin receptor type 1A	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Echinococcus granulosus	7TM GPCR rhodopsin	0.0023	0.1452	0.0202
Echinococcus granulosus	neuropeptide s receptor	0.0023	0.1452	0.0202
Echinococcus multilocularis	g-protein coupled receptor	0.0023	0.1452	0.0202
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0023	0.1452	0.0202
Echinococcus granulosus	dro:myosuppressin receptor	0.0023	0.1452	0.0202
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0035	0.3137	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0023	0.1452	0.0202
Echinococcus granulosus	rhodopsin orphan GPCR	0.0023	0.1452	0.0202
Echinococcus multilocularis	serotonin receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	opsin-like receptor	0.0023	0.1452	0.0202
Echinococcus multilocularis	fmrfamide receptor	0.0023	0.1452	0.0202
Onchocerca volvulus		0.0023	0.1452	0.5
Schistosoma mansoni	hypothetical protein	0.0023	0.1452	0.0202
Echinococcus multilocularis	neuropeptide receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0023	0.1452	0.0202
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Schistosoma mansoni	hypothetical protein	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0023	0.1452	0.0202
Onchocerca volvulus		0.0023	0.1452	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.1452	0.0202
Onchocerca volvulus		0.0023	0.1452	0.5
Echinococcus granulosus	neuropeptides capa receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0023	0.1452	0.0202
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0023	0.1452	0.0202
Schistosoma mansoni	neuropeptide receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0083	1	1
Schistosoma mansoni	neuropeptide receptor	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Echinococcus multilocularis	G protein coupled receptor 139	0.0023	0.1452	0.0202
Brugia malayi	G-protein coupled receptor	0.0023	0.1452	0.0202
Echinococcus multilocularis	orexin receptor type 2	0.0023	0.1452	0.0202
Brugia malayi	G-protein coupled receptor	0.0023	0.1452	0.0202
Brugia malayi	RE15519p	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0023	0.1452	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0035	0.3137	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0022	0.1276	1
Schistosoma mansoni	amine GPCR	0.0023	0.1452	0.0202
Echinococcus granulosus	orexin receptor type 2	0.0023	0.1452	0.0202
Brugia malayi	hypothetical protein	0.0023	0.1452	0.0202
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.1452	0.0202
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Onchocerca volvulus		0.0023	0.1452	0.5
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0023	0.1452	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Onchocerca volvulus		0.0023	0.1452	0.5
Brugia malayi	AKH receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	neuropeptide F receptor	0.0023	0.1452	0.4627
Brugia malayi	hypothetical protein	0.0023	0.1452	0.0202
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0023	0.1452	0.0202
Schistosoma mansoni	growth hormone secretagogue receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	amine GPCR	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.3137	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0023	0.1452	0.0202
Echinococcus multilocularis	fmrfamide receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Onchocerca volvulus		0.0023	0.1452	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.1452	0.0202
Echinococcus granulosus	tm gpcr rhodopsin	0.0023	0.1452	0.0202
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0.1276	0.3851
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Loa Loa (eye worm)	G-protein coupled receptor	0.0023	0.1452	0.4627
Brugia malayi	Dopamine receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.1276	0.4067
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	amine GPCR	0.0023	0.1452	0.0202
Onchocerca volvulus		0.0023	0.1452	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Onchocerca volvulus		0.0023	0.1452	0.5
Brugia malayi	putative neuropeptide receptor	0.0023	0.1452	0.0202
Echinococcus granulosus	rhodopsin orphan GPCR	0.0023	0.1452	0.0202
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0023	0.1452	0.0202
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0083	1	1
Echinococcus granulosus	neuropeptide receptor	0.0023	0.1452	0.0202
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0023	0.1452	0.0202
Onchocerca volvulus		0.0023	0.1452	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.1452	0.0202
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Schistosoma mansoni	histamine h1 receptor	0.0023	0.1452	0.0202
Echinococcus granulosus	hypothetical protein	0.0023	0.1452	0.0202
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0.1276	0.3851
Echinococcus multilocularis	neuropeptides capa receptor	0.0023	0.1452	0.0202
Brugia malayi	neuropeptide F receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	neuropeptide receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0023	0.1452	0.0202
Echinococcus multilocularis	neuropeptide Y receptor	0.0023	0.1452	0.0202
Echinococcus granulosus	neuropeptide FF receptor 2	0.0023	0.1452	0.0202
Echinococcus granulosus	rhodopsin orphan GPCR	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Brugia malayi	GnHR receptor homolog	0.0023	0.1452	0.0202
Onchocerca volvulus		0.0023	0.1452	0.5
Echinococcus multilocularis	serotonin receptor	0.0023	0.1452	0.0202
Echinococcus granulosus	rhodopsin orphan GPCR	0.0023	0.1452	0.0202
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.1452	0.0202
Echinococcus granulosus	tm gpcr rhodopsin	0.0023	0.1452	0.0202
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0023	0.1452	0.0202
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0023	0.1452	0.4627
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.1276	0.3851
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0023	0.1452	0.0202
Echinococcus multilocularis	g protein coupled receptor	0.0023	0.1452	0.0202
Onchocerca volvulus		0.0023	0.1452	0.5
Onchocerca volvulus		0.0023	0.1452	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0023	0.1452	0.0202
Echinococcus multilocularis	g protein coupled receptor	0.0023	0.1452	0.0202
Schistosoma mansoni	opsin-like receptor	0.0023	0.1452	0.0202
Echinococcus multilocularis	somatostatin receptor	0.0023	0.1452	0.0202
Echinococcus granulosus	7tm_1 domain containing protein	0.0023	0.1452	0.0202
Echinococcus granulosus	tm gpcr rhodopsin	0.0023	0.1452	0.0202
Brugia malayi	Serotonin receptor	0.0023	0.1452	0.0202
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0023	0.1452	0.0202
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0023	0.1452	0.4627
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0023	0.1452	0.0202
Brugia malayi	hypothetical protein	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0023	0.1452	0.0202
Echinococcus multilocularis	neuropeptides capa receptor	0.0023	0.1452	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1452	0.4627

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 6 nM	BindingDB_Patents: Inhibition Assay. Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixture of 50 mM Tris/HCl (pH 7.5), 10 mM MgCl2 and 1 mM DTT. Final substrate concentrations were 10 uM [gamma-33P]ATP (3 mCi 33P ATP/mmol ATP, Perkin Elmer) and 800 uM target peptide (ASELPASQPQPFSAKKK).Assays were carried out at 25 C. in the presence of 5 nM full-length ATR. An assay stock buffer solution was prepared containing all of the reagents listed above, with the exception of ATP and the test compound of interest. 13.5 uL of the stock solution was placed in a 96 well plate followed by addition of 2 uL of DMSO stock containing serial dilutions of the test compound (typically starting from a final concentration of 15 uM with 3-fold serial dilutions) in duplicate (final DMSO concentration 7%). The plate was pre-incubated for 10 minutes at 25 C.	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: CHEMBL3695214

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1981110