TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 368.41 | Formula: C18H16N4O3S
H donors: 2 H acceptors: 5 LogP: 2.05 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C)Nc1ccccc1
InChi: 1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)
InChiKey: DUIHHZKTCSNTGM-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	protein kinase, DNA-activated, catalytic polypeptide	Starlite/ChEMBL	References
Homo sapiens	ATR serine/threonine kinase	Starlite/ChEMBL	References
Homo sapiens	ATM serine/threonine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	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
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	ko:K06640 ataxia telangiectasia and Rad3 related, 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
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	Get druggable targets OG5_128386	All targets in OG5_128386
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_128386	All targets in OG5_128386
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing	Get druggable targets OG5_128955	All targets in OG5_128955
Candida albicans	identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase	Get druggable targets OG5_128955	All targets in OG5_128955
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_128955	All targets in OG5_128955
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania braziliensis	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	Serine/threonine-protein kinase atr, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Toxoplasma gondii	FATC domain-containing protein	Get druggable targets OG5_128955	All targets in OG5_128955
Neospora caninum	phosphatidylinositol 3- and 4-kinase domain- containing protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Loa Loa (eye worm)	hypothetical protein	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
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	Get druggable targets OG5_132688	All targets in OG5_132688
Leishmania infantum	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania mexicana	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Echinococcus granulosus	serine protein kinase ATM	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania mexicana	phosphatidylinositol 3-kinase-like protein	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	ko:K04728 ataxia telangectasia mutated family protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Neospora caninum	phosphatidylinositol 3- and 4-kinase domain- containing protein, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Candida albicans	similar to putative phosphatidylinositol kinase involved in telomere length regulation	Get druggable targets OG5_128955	All targets in OG5_128955
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
Leishmania major	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	hypothetical protein	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
Leishmania major	phosphatidylinositol 3-related kinase, putative	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
Candida albicans	similar to putative phosphatidylinositol kinase involved in telomere length regulation	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania braziliensis	phosphatidylinositol 3-related kinase, 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
Loa Loa (eye worm)	phosphatidylinositol 3	Get druggable targets OG5_128386	All targets in OG5_128386
Trypanosoma brucei gambiense	phosphatidylinositol kinase domain protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus multilocularis	serine protein kinase ATM	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Babesia bovis	phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_128386	All targets in OG5_128386
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	Get druggable targets OG5_132688	All targets in OG5_132688
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, 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
Cryptosporidium hominis	hypothetical 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
Echinococcus multilocularis	phosphatidylinositol 3 and 4 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
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family 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
Schistosoma japonicum	Serine/threonine-protein kinase ATR, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Leishmania donovani	phosphatidylinositol 3-kinase-like protein	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Trichomonas vaginalis	PIKK family atypical protein kinase	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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Onchocerca volvulus		0.015	0.3875	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.015	0.3875	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.3875	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Brugia malayi	ORL1-like opioid receptor	0.015	0.3875	1
Brugia malayi	hypothetical protein	0.015	0.3875	1
Echinococcus multilocularis	sex peptide receptor	0.015	0.3875	0.3567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Brugia malayi	RE15519p	0.015	0.3875	1
Echinococcus granulosus	fmrfamide receptor	0.015	0.3875	0.3567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.015	0.3875	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.015	0.3875	0.3567
Brugia malayi	Dopamine receptor protein 2	0.015	0.3875	1
Echinococcus multilocularis	somatostatin receptor	0.015	0.3875	0.3567
Brugia malayi	hypothetical protein	0.015	0.3875	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Echinococcus granulosus	rhodopsin orphan GPCR	0.015	0.3875	0.3567
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.015	0.3875	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.3875	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.015	0.3875	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Echinococcus multilocularis	g protein coupled receptor	0.015	0.3875	0.3567
Onchocerca volvulus		0.015	0.3875	0.5
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0066	0.0867	1
Loa Loa (eye worm)	neuropeptide F receptor	0.015	0.3875	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0066	0.0867	0.0407
Schistosoma mansoni	neuropeptide receptor	0.015	0.3875	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.3875	0.3567
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0126	0.3031	0.268
Echinococcus granulosus	neuropeptide receptor	0.015	0.3875	0.3567
Schistosoma mansoni	neuropeptide receptor	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.015	0.3875	0.3567
Schistosoma mansoni	opsin-like receptor	0.015	0.3875	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.0311	0.2342
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.3875	0.3567
Onchocerca volvulus		0.015	0.3875	0.5
Schistosoma mansoni	biogenic amine receptor	0.015	0.3875	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0055	0.0479	0.3608
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus multilocularis	neuropeptides capa receptor	0.015	0.3875	0.3567
Schistosoma mansoni	biogenic amine receptor	0.015	0.3875	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.015	0.3875	0.3567
Echinococcus granulosus	neuropeptide FF receptor 2	0.015	0.3875	0.3567
Onchocerca volvulus		0.015	0.3875	0.5
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0055	0.0479	0.1497
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.3875	1
Echinococcus granulosus	tm gpcr rhodopsin	0.015	0.3875	0.3567
Onchocerca volvulus		0.015	0.3875	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0078	0.1329	1
Leishmania major	hypothetical protein, conserved	0.0122	0.2888	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus granulosus	neuropeptide receptor	0.015	0.3875	0.3567
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.015	0.3875	1
Brugia malayi	hypothetical protein	0.015	0.3875	1
Loa Loa (eye worm)	TYRA-2 protein	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Schistosoma mansoni	hypothetical protein	0.015	0.3875	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0126	0.3031	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.015	0.3875	0.3567
Schistosoma mansoni	opsin-like receptor	0.015	0.3875	1
Entamoeba histolytica	hypothetical protein	0.0055	0.0479	0.3025
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.015	0.3875	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.015	0.3875	0.3567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Echinococcus multilocularis	fmrfamide receptor	0.015	0.3875	0.3567
Onchocerca volvulus		0.015	0.3875	0.5
Echinococcus granulosus	alpha 1A adrenergic receptor	0.015	0.3875	0.3567
Onchocerca volvulus		0.015	0.3875	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.015	0.3875	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.015	0.3875	1
Echinococcus granulosus	g protein coupled receptor	0.015	0.3875	0.3567
Echinococcus granulosus	tm gpcr rhodopsin	0.015	0.3875	0.3567
Onchocerca volvulus		0.015	0.3875	0.5
Echinococcus multilocularis	allatostatin A receptor	0.015	0.3875	0.3567
Echinococcus multilocularis	g protein coupled receptor	0.015	0.3875	0.3567
Echinococcus granulosus	neuropeptide Y receptor	0.015	0.3875	0.3567
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.015	0.3875	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.015	0.3875	0.3567
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Brugia malayi	Dopamine receptor protein 1	0.015	0.3875	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Schistosoma mansoni	histamine h1 receptor	0.015	0.3875	1
Echinococcus multilocularis	neuropeptides capa receptor	0.015	0.3875	0.3567
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.015	0.3875	0.3567
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.015	0.3875	0.3567
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.015	0.3875	0.3567
Echinococcus granulosus	neuropeptides capa receptor	0.015	0.3875	0.3567
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.015	0.3875	0.3567
Brugia malayi	hypothetical protein	0.015	0.3875	1
Echinococcus granulosus	tm gpcr rhodopsin	0.015	0.3875	0.3567
Loa Loa (eye worm)	phosphatidylinositol 3	0.0078	0.1329	0.3429
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.015	0.3875	1
Onchocerca volvulus		0.015	0.3875	0.5
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0066	0.0867	0.1142
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.3875	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Brugia malayi	putative neuropeptide receptor	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.3875	0.3567
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus multilocularis	orexin receptor type 2	0.015	0.3875	0.3567
Echinococcus granulosus	serotonin receptor	0.015	0.3875	0.3567
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.015	0.3875	0.3567
Schistosoma mansoni	hypothetical protein	0.015	0.3875	1
Echinococcus granulosus	somatostatin receptor	0.015	0.3875	0.3567
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.015	0.3875	0.3567
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.003	0.0078
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Echinococcus granulosus	rhodopsin orphan GPCR	0.015	0.3875	0.3567
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0066	0.0867	0.6526
Schistosoma mansoni	adenoreceptor	0.015	0.3875	1
Schistosoma mansoni	amine GPCR	0.015	0.3875	1
Schistosoma mansoni	hypothetical protein	0.015	0.3875	1
Echinococcus multilocularis	g protein coupled receptor	0.015	0.3875	0.3567
Brugia malayi	hypothetical protein	0.015	0.3875	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0066	0.0867	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.015	0.3875	0.3567
Echinococcus multilocularis	neuropeptide FF receptor 2	0.015	0.3875	0.3567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Brugia malayi	hypothetical protein	0.015	0.3875	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.015	0.3875	0.3567
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.3875	0.3567
Onchocerca volvulus	Neuropeptide F receptor homolog	0.015	0.3875	0.5
Echinococcus granulosus	7tm_1 domain containing protein	0.015	0.3875	0.3567
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.015	0.3875	0.5
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0066	0.0867	0.2789
Brugia malayi	hypothetical protein	0.015	0.3875	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.015	0.3875	0.3567
Brugia malayi	G protein-coupled receptor	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Onchocerca volvulus		0.015	0.3875	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.3875	1
Onchocerca volvulus		0.015	0.3875	0.5
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus granulosus	neuropeptide receptor A26	0.015	0.3875	0.3567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Echinococcus multilocularis	neuropeptide receptor A26	0.015	0.3875	0.3567
Echinococcus multilocularis	serotonin receptor	0.015	0.3875	0.3567
Schistosoma mansoni	biogenic amine (5HT) receptor	0.015	0.3875	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.015	0.3875	1
Schistosoma mansoni	amine GPCR	0.015	0.3875	1
Echinococcus granulosus	dro:myosuppressin receptor	0.015	0.3875	0.3567
Brugia malayi	hypothetical protein	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus multilocularis	neuropeptide receptor	0.015	0.3875	0.3567
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Brugia malayi	neuropeptide F receptor	0.015	0.3875	1
Brugia malayi	hypothetical protein	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus granulosus	hypothetical protein	0.015	0.3875	0.3567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Echinococcus granulosus	g protein coupled receptor	0.015	0.3875	0.3567
Schistosoma mansoni	amine GPCR	0.015	0.3875	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.015	0.3875	0.3567
Toxoplasma gondii	FATC domain-containing protein	0.0055	0.0479	0.5528
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.015	0.3875	0.3567
Echinococcus multilocularis	serotonin receptor	0.015	0.3875	0.3567
Echinococcus granulosus	allatostatin A receptor	0.015	0.3875	0.3567
Onchocerca volvulus		0.015	0.3875	0.5
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.015	0.3875	0.3567
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.015	0.3875	1
Schistosoma mansoni	amine GPCR	0.015	0.3875	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.015	0.3875	0.3567
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.015	0.3875	0.3567
Trypanosoma cruzi	target of rapamycin kinase 3	0.0066	0.0867	0.2789
Echinococcus granulosus	biogenic amine 5HT receptor	0.015	0.3875	0.3567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.015	0.3875	1
Schistosoma mansoni	amine GPCR	0.015	0.3875	1
Echinococcus granulosus	g-protein coupled receptor	0.015	0.3875	0.3567
Schistosoma mansoni	opsin-like receptor	0.015	0.3875	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Onchocerca volvulus		0.015	0.3875	0.5
Onchocerca volvulus		0.015	0.3875	0.5
Echinococcus granulosus	orexin receptor type 2	0.015	0.3875	0.3567
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.3875	0.3567
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.015	0.3875	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.015	0.3875	0.3567
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.015	0.3875	0.3567
Echinococcus granulosus	neuropeptide s receptor	0.015	0.3875	0.3567
Brugia malayi	Dopamine receptor	0.015	0.3875	1
Brugia malayi	Serotonin receptor	0.015	0.3875	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.015	0.3875	0.3567
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0126	0.3031	0.7514
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0055	0.0479	0.3608
Echinococcus granulosus	sex peptide receptor	0.015	0.3875	0.3567
Schistosoma mansoni	neuropeptide receptor	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.015	0.3875	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.015	0.3875	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.015	0.3875	1
Brugia malayi	follicle stimulating hormone receptor	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0078	0.1329	1
Brugia malayi	Melatonin receptor type 1A	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Brugia malayi	AKH receptor	0.015	0.3875	1
Echinococcus granulosus	neuropeptide Y receptor	0.015	0.3875	0.3567
Onchocerca volvulus		0.015	0.3875	0.5
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.015	0.3875	0.3567
Brugia malayi	hypothetical protein	0.015	0.3875	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.015	0.3875	0.3567
Schistosoma mansoni	neuropeptide receptor	0.015	0.3875	1
Echinococcus multilocularis	neuropeptide receptor	0.015	0.3875	0.3567
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0066	0.0867	0.1142
Giardia lamblia	GTOR	0.0066	0.0867	0.5
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Onchocerca volvulus		0.015	0.3875	0.5
Brugia malayi	G-protein coupled receptor	0.015	0.3875	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.015	0.3875	1
Schistosoma mansoni	hypothetical protein	0.015	0.3875	1
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.2439	0.8027
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0066	0.0867	0.2789
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.015	0.3875	1
Schistosoma mansoni	neuropeptide F-like receptor	0.015	0.3875	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.3875	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.015	0.3875	0.3567
Echinococcus granulosus	7TM GPCR rhodopsin	0.015	0.3875	0.3567
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0078	0.1329	0.2284
Brugia malayi	Serotonin receptor	0.015	0.3875	1
Onchocerca volvulus		0.015	0.3875	0.5
Brugia malayi	G protein-coupled receptor F59B2.13	0.015	0.3875	1
Loa Loa (eye worm)	G-protein coupled receptor	0.015	0.3875	1
Echinococcus multilocularis	g-protein coupled receptor	0.015	0.3875	0.3567
Brugia malayi	sulfakinin receptor protein	0.015	0.3875	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.015	0.3875	0.3567
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0066	0.0867	0.6526
Schistosoma mansoni	biogenic amine (5HT) receptor	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus multilocularis	neuropeptide Y receptor	0.015	0.3875	0.3567
Schistosoma mansoni	alpha-1 adrenergic receptor	0.015	0.3875	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0126	0.3031	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Schistosoma mansoni	biogenic amine receptor	0.015	0.3875	1
Echinococcus multilocularis	neuropeptide s receptor	0.015	0.3875	0.3567
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus multilocularis	G protein coupled receptor 139	0.015	0.3875	0.3567
Brugia malayi	larval opioid receptor	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus granulosus	G protein coupled receptor 139	0.015	0.3875	0.3567
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0066	0.0867	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Brugia malayi	GnHR receptor homolog	0.015	0.3875	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0066	0.0867	0.0407
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.015	0.3875	0.3567
Echinococcus multilocularis	fmrfamide receptor	0.015	0.3875	0.3567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0126	0.3031	0.7514
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.015	0.3875	0.3567
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.015	0.3875	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0066	0.0867	0.6526
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.015	0.3875	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.015	0.3875	1
Brugia malayi	neuropeptide F receptor	0.015	0.3875	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.3875	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.015	0.3875	1
Brugia malayi	putative neuropeptide receptor NPR1	0.015	0.3875	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.015	0.3875	0.3567
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.3875	0.3567
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0066	0.0867	0.6526
Loa Loa (eye worm)	melatonin receptor type 1A	0.015	0.3875	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0867	0.6526
Brugia malayi	G-protein coupled receptor	0.015	0.3875	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.3875	0.3567
Echinococcus multilocularis	rhodopsin orphan GPCR	0.015	0.3875	0.3567
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.015	0.3875	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.015	0.3875	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.015	0.3875	1
Echinococcus multilocularis	neuropeptide Y receptor	0.015	0.3875	0.3567
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.015	0.3875	1
Echinococcus granulosus	g protein coupled receptor	0.015	0.3875	0.3567
Loa Loa (eye worm)	neuropeptide F receptor	0.015	0.3875	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0126	0.3031	0.268
Schistosoma mansoni	myosin xvIII	0.015	0.3875	1
Echinococcus granulosus	neuropeptides capa receptor	0.015	0.3875	0.3567
Loa Loa (eye worm)	hypothetical protein	0.015	0.3875	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0066	0.0867	0.2238

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)	< 13 %	Cytotoxicity against human K562 cells assessed as decrease in cell viability up to 10 uM after 24 to 48 hrs by cell titer-glo luminescence assay	ChEMBL.	27177826
IC50 (binding)	= 26 nM	Inhibition of DNA-PK	ChEMBL.	22835870
IC50 (binding)	= 0.026 uM	Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay	ChEMBL.	21413798
IC50 (binding)	= 4.4 uM	Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assay	ChEMBL.	21413798
IC50 (binding)	> 8 uM	Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay	ChEMBL.	21413798

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: CHEMBL1766779

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1509409