TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 291.307 | Formula: C16H13N5O
H donors: 2 H acceptors: 4 LogP: 1.75 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ncc(nc1C(=O)Nc1ccccc1)c1cccnc1
InChi: 1S/C16H13N5O/c17-15-14(16(22)20-12-6-2-1-3-7-12)21-13(10-19-15)11-5-4-8-18-9-11/h1-10H,(H2,17,19)(H,20,22)
InChiKey: OWYXGQALIALHJZ-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	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References
Homo sapiens	ATM serine/threonine kinase	Starlite/ChEMBL	References
Homo sapiens	protein kinase, DNA-activated, catalytic polypeptide	Starlite/ChEMBL	References
Homo sapiens	ATR serine/threonine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_128386	All targets in OG5_128386
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Schistosoma japonicum	IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania major	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Babesia bovis	phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_128386	All targets in OG5_128386
Trypanosoma brucei	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
Trypanosoma brucei gambiense	phosphatidylinositol kinase domain protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Neospora caninum	phosphatidylinositol 3- and 4-kinase domain- containing protein, putative	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_128955	All targets in OG5_128955
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	Serine/threonine-protein kinase ATR, putative	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
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	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
Toxoplasma gondii	FATC domain-containing protein	Get druggable targets OG5_128955	All targets in OG5_128955
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_128386	All targets in OG5_128386
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Leishmania braziliensis	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	Get druggable targets OG5_132688	All targets in OG5_132688
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	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
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	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
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128386	All targets in OG5_128386
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	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
Trichomonas vaginalis	PIKK family atypical protein 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
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
Echinococcus multilocularis	serine protein kinase ATM	Get druggable targets OG5_128955	All targets in OG5_128955
Loa Loa (eye worm)	phosphatidylinositol 3	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
Cryptosporidium hominis	ataxia telangiectasia and Rad3-related protein	Get druggable targets OG5_128386	All targets in OG5_128386
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to putative phosphatidylinositol kinase involved in telomere length regulation	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	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 donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_128386	All targets in OG5_128386
Schistosoma japonicum	ko:K04728 ataxia telangectasia mutated family protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	Get druggable targets OG5_128386	All targets in OG5_128386
Leishmania mexicana	phosphatidylinositol 3-kinase-like 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
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	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
Candida albicans	identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase	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
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	phosphatidylinositol 3-kinase-like protein	Get druggable targets OG5_128955	All targets in OG5_128955
Leishmania major	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_126554	All targets in OG5_126554
Leishmania donovani	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Leishmania infantum	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_128955	All targets in OG5_128955
Trichomonas vaginalis	PIKK family atypical protein kinase	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
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	Serine/threonine-protein kinase atr, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0126	0.3331	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0286	0.168
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0852	0.2559
Echinococcus multilocularis	serine protein kinase ATM	0.0055	0.0889	0.0889
Mycobacterium ulcerans	lipase LipD	0.0042	0.0464	0.5
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0066	0.126	0.3882
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0464	0.2725
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0037	0.0286	0.0286
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0055	0.0889	0.2596
Loa Loa (eye worm)	phosphatidylinositol 3	0.0078	0.1702	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0464	0.2725
Leishmania major	phosphatidylinositol kinase related protein, putative	0.003	0.0059	0.0083
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0464	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0464	0.2725
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.043	0.2526
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0464	0.1392
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0464	0.2725
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.0852	0.2559
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0066	0.126	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0464	0.2725
Leishmania major	hypothetical protein, conserved	0.0122	0.3194	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Onchocerca volvulus		0.0042	0.0464	0.5
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0066	0.126	0.7353
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.005	0.0728	0.4536
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0055	0.0889	0.5222
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0078	0.1702	0.528
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0078	0.1702	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.043	0.2526
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0464	0.2725
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0852	0.0852
Toxoplasma gondii	ABC1 family protein	0.0042	0.0464	0.3513
Onchocerca volvulus		0.0042	0.0464	0.5
Entamoeba histolytica	hypothetical protein	0.0055	0.0889	0.6189
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.2764	0.8282
Trichomonas vaginalis	esterase, putative	0.0042	0.0464	0.2725
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0464	0.2725
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Loa Loa (eye worm)	phosphatidylinositol 3	0.0066	0.126	0.7404
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0464	0.2725
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0066	0.126	0.3882
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0037	0.0286	0.0858
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0286	0.168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Loa Loa (eye worm)	hypothetical protein	0.003	0.0032	0.0191
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0055	0.0889	0.2668
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0078	0.1702	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0464	0.5
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0464	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0464	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0852	0.0852
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0037	0.0286	0.0768
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0286	0.168
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0852	0.0852
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0066	0.126	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0066	0.126	0.3721
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0066	0.126	0.126
Echinococcus granulosus	serine protein kinase ATM	0.0055	0.0889	0.0889
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0269	0.821	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0041	0.043	0.3237
Leishmania major	hypothetical protein, conserved	0.0042	0.0464	0.1364
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0066	0.126	0.3783
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0464	0.5
Brugia malayi	hypothetical protein	0.003	0.0032	0.0098
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0464	0.2725
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0066	0.126	0.3882
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0459	0.2697
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0066	0.126	0.3882
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.0852	0.501
Giardia lamblia	GTOR	0.0066	0.126	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0126	0.3331	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0055	0.0889	0.5129
Brugia malayi	beta-lactamase family protein	0.0042	0.0464	0.1392
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0032	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0464	0.1392
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0464	0.0464
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0066	0.126	0.126
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0041	0.043	0.238
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0464	0.2725
Brugia malayi	beta-lactamase	0.0042	0.0464	0.1392
Onchocerca volvulus		0.0042	0.0464	0.5
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0464	0.5
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0066	0.126	0.3783
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0464	0.2725
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0464	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0464	0.1307
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0042	0.0459	0.1293
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0286	0.168
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0464	0.2725
Brugia malayi	beta-lactamase family protein	0.0042	0.0464	0.1392
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0066	0.126	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0032	0.5
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0066	0.126	0.7353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0066	0.126	0.3721
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0286	0.168
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0126	0.3331	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0286	0.168
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0037	0.0286	0.0858
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0464	0.2725
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.0728	0.4276
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0066	0.126	0.7353
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.003	0.0059	0.0079
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0126	0.3331	0.3331
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0037	0.0286	0.0286
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0464	0.2583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0852	0.2559
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0852	0.0852
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0464	0.1392
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0066	0.126	0.7353
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0464	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Toxoplasma gondii	FATC domain-containing protein	0.0055	0.0889	0.6976
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0464	0.1307
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.126	0.7404
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0055	0.0889	0.2668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0286	0.168
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0126	0.3331	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0126	0.3331	0.3331
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0852	0.2559
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.043	0.2526
Trypanosoma cruzi	target of rapamycin kinase 3	0.0066	0.126	0.3721

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.18 uM	Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay	ChEMBL.	21413798
IC50 (ADMET)	= 2 uM	Inhibition of CYP3A4	ChEMBL.	21413798
IC50 (binding)	> 8 uM	Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay	ChEMBL.	21413798
IC50 (binding)	> 8 uM	Inhibition of DNAPK after 2 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: CHEMBL1765107

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1509404