TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 318.283 | Formula: C18H10N2O4
H donors: 4 H acceptors: 4 LogP: 2.72 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(c2c1c1[nH]c3c(c1c1c2c(=O)[nH]c1=O)cccc3)O
InChi: 1S/C18H10N2O4/c21-9-5-6-10(22)13-12(9)15-14(17(23)20-18(15)24)11-7-3-1-2-4-8(7)19-16(11)13/h1-6,19,21-22H,(H,20,23,24)
InChiKey: VYVSDAQCZSWUJJ-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	checkpoint kinase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Serine/threonine-protein kinase Chk1, putative	Get druggable targets OG5_130454	All targets in OG5_130454
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_130454	All targets in OG5_130454
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_130454	All targets in OG5_130454
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	Get druggable targets OG5_130454	All targets in OG5_130454

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	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0099	0.1491
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0231	0.0664	1
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.013	0.0359	0.0301
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0099	0.1491
Trichomonas vaginalis	PIKK family atypical protein kinase	0.013	0.0359	0.5406
Schistosoma mansoni	hypothetical protein	0.0101	0.0269	0.3469
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0044	0.0099	0.1491
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0044	0.0099	0.0039
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0044	0.0099	0.1491
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0032	0.006	0.0902
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0099	0.1491
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0044	0.0099	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0231	0.0664	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0032	0.006	0.0902
Mycobacterium leprae	conserved hypothetical protein	0.0044	0.0099	0.5
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0044	0.0099	0.0285
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.3316	1	1
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0044	0.0099	0.0039
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0032	0.006	0.0902
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0086	0.0224	0.0645
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Loa Loa (eye worm)	SRC-1	0.0045	0.0102	0.1538
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0102	0.0042
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0231	0.0664	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0044	0.0099	0.0285
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0044	0.0099	0.1491
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0231	0.0664	0.191
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0032	0.006	0.0902
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0102	0.0042
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0044	0.0099	0.0039
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0044	0.0099	0.5
Echinococcus granulosus	tyrosine protein kinase HCK	0.0036	0.0075	0.0015
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0044	0.0099	0.1491
Echinococcus multilocularis	Zinc finger, PHD finger	0.0044	0.0099	0.0039
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.006	0.0172
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0044	0.0099	0.0285
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.0099	0.1491
Onchocerca volvulus		0.0044	0.0099	0.4644
Entamoeba histolytica	hypothetical protein	0.0044	0.0099	0.1491
Trichomonas vaginalis	alpha-glucosidase, putative	0.0032	0.006	0.0902
Echinococcus granulosus	neuropeptide receptor A26	0.0403	0.1185	0.1132
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0041	0.0089	0.0029
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0045	0.0102	0.0042
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0231	0.0664	1
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0036	0.0075	0.0015
Trypanosoma cruzi	hypothetical protein, conserved	0.116	0.3474	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0032	0.006	0.0902
Onchocerca volvulus		0.0082	0.0213	1
Entamoeba histolytica	protein kinase, putative	0.0036	0.0075	0.1129
Echinococcus granulosus	tyrosine protein kinase Blk	0.0041	0.0089	0.0029
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0044	0.0099	0.0039
Echinococcus granulosus	neuropeptide s receptor	0.0403	0.1185	0.1132
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0044	0.0099	0.0039
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0045	0.0102	0.0042
Onchocerca volvulus		0.0044	0.0099	0.4644
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0142	0.0394	0.0337
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0044	0.0099	0.1491
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0044	0.0099	0.0648
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0231	0.0664	0.1839
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0045	0.0102	0.0042
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0044	0.0099	0.0285
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.013	0.0359	0.1033
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0231	0.0664	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.006	0.0172
Loa Loa (eye worm)	TK protein kinase	0.0041	0.0089	0.1336
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0102	0.0042
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0044	0.0099	0.1491
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0045	0.0102	0.0042
Echinococcus granulosus	lysosomal alpha glucosidase	0.0142	0.0394	0.0337
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0102	0.0042
Schistosoma mansoni	alpha-glucosidase	0.0122	0.0335	0.455
Loa Loa (eye worm)	hypothetical protein	0.013	0.0359	0.5406
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.013	0.0359	0.5406
Schistosoma mansoni	hypothetical protein	0.0044	0.0099	0.0648
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0231	0.0664	0.0607
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0044	0.0099	0.1491
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0044	0.0099	0.0648
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0099	0.1491
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.013	0.0359	0.5406
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0145	0.0404	0.5697
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0224	0.3379
Entamoeba histolytica	hypothetical protein	0.0044	0.0099	0.1491
Echinococcus granulosus	tyrosine protein kinase Src42A	0.004	0.0085	0.0025
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0099	0.1491
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0099	0.1491
Echinococcus granulosus	tyrosine kinase	0.0041	0.0089	0.0029
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0044	0.0099	0.1491
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0044	0.0099	0.0648
Trichomonas vaginalis	alpha-glucosidase, putative	0.0032	0.006	0.0902
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0044	0.0099	0.5
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0231	0.0664	0.0607
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0044	0.0099	0.1491
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Plasmodium vivax	hypothetical protein	0.0044	0.0099	0.5
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0044	0.0099	0.1491
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0044	0.0099	0.1491
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0044	0.0099	0.0039
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0044	0.0099	0.0285
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0101	0.0269	0.0211
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.004	0.0085	0.0025
Loa Loa (eye worm)	transcription factor SMAD2	0.0104	0.028	0.4212
Trypanosoma brucei	glucosidase, putative	0.0032	0.006	0.0902
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0044	0.0099	0.1491
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0202	0.0576	0.8681
Giardia lamblia	GTOR	0.0231	0.0664	1
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0044	0.0099	0.0039
Trichomonas vaginalis	conserved hypothetical protein	0.0145	0.0404	0.6085
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0044	0.0099	0.5
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0044	0.0099	0.1491
Brugia malayi	FAT domain containing protein	0.0101	0.0269	0.4058
Trichomonas vaginalis	PIKK family atypical protein kinase	0.013	0.0359	0.5406
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0044	0.0099	0.5
Brugia malayi	Protein kinase domain containing protein	0.0202	0.0576	0.8681
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0231	0.0664	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0044	0.0099	0.1491
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0044	0.0099	0.0274
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0044	0.0099	0.0648
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0231	0.0664	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0044	0.0099	0.5
Echinococcus multilocularis	serine protein kinase ATM	0.013	0.0359	0.0301
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0044	0.0099	0.0039
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0044	0.0099	0.1491
Trichomonas vaginalis	alpha-glucosidase, putative	0.0032	0.006	0.0902
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.0269	0.4058
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.0089	0.0029
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0102	0.0042
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0044	0.0099	0.1491
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0231	0.0664	1
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0044	0.0099	0.0274
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0099	0.1491
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0231	0.0664	0.0607
Loa Loa (eye worm)	MH2 domain-containing protein	0.0104	0.028	0.4212
Entamoeba histolytica	hypothetical protein	0.013	0.0359	0.5406
Entamoeba histolytica	hypothetical protein	0.0044	0.0099	0.1491
Trichomonas vaginalis	PIKK family atypical protein kinase	0.013	0.0359	0.5406
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.0224	0.3379
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0044	0.0099	0.0285
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0231	0.0664	0.1839
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0044	0.0099	0.1491
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0044	0.0099	0.0648
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0231	0.0664	0.1839
Brugia malayi	SRC-1	0.0045	0.0102	0.1538
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0269	0.4058
Entamoeba histolytica	protein kinase rad3, putative	0.013	0.0359	0.5406
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0099	0.1491
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0231	0.0664	0.191
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.013	0.0359	0.5406
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0145	0.0404	0.6085
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0032	0.006	0.0902
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0099	0.1491
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0102	0.0042
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0044	0.0099	0.0285
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0032	0.006	0.0902
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0044	0.0099	0.0648
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0041	0.0089	0.0029
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.013	0.0359	0.0301
Brugia malayi	protein-tyrosine kinase	0.0041	0.0089	0.1336
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0231	0.0664	0.1839
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0044	0.0099	0.0039
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.013	0.0359	0.1033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0044	0.0099	0.0648
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0142	0.0394	0.5944
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0099	0.1491
Echinococcus multilocularis	neuropeptide receptor A26	0.0403	0.1185	0.1132
Trichomonas vaginalis	PIKK family atypical protein kinase	0.013	0.0359	0.5406
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0099	0.1491
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0044	0.0099	0.1491
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0231	0.0664	0.191
Schistosoma mansoni	serine/threonine protein kinase	0.0202	0.0576	0.855
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0086	0.0224	0.3379
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0044	0.0099	0.0285
Echinococcus granulosus	serine protein kinase ATM	0.013	0.0359	0.0301
Schistosoma mansoni	alpha-glucosidase	0.0122	0.0335	0.455
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0145	0.0404	0.6085
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0041	0.0089	0.0029
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0142	0.0394	0.5944
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0045	0.0102	0.0042
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0044	0.0099	0.1491
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0044	0.0099	0.1491
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0044	0.0099	0.0648
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0044	0.0099	0.1491
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0045	0.0102	0.0042
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0231	0.0664	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0045	0.0102	0.0042
Echinococcus multilocularis	neuropeptide s receptor	0.0403	0.1185	0.1132
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.0099	0.1491
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0101	0.0269	0.0211
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0044	0.0099	0.1491
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0231	0.0664	0.1839
Trichomonas vaginalis	PIKK family atypical protein kinase	0.013	0.0359	0.5406
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0404	0.6085
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0044	0.0099	0.0274
Toxoplasma gondii	FATC domain-containing protein	0.013	0.0359	0.4951
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0044	0.0099	0.1491
Brugia malayi	MH2 domain containing protein	0.0104	0.028	0.4212
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0044	0.0099	0.0285
Leishmania major	phosphatidylinositol kinase, putative	0.0044	0.0099	0.0274
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0044	0.0099	0.1491
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0044	0.0099	0.0039
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0044	0.0099	0.0039
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0044	0.0099	0.5
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0044	0.0099	0.0285
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.013	0.0359	0.4951
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Plasmodium vivax	hypothetical protein, conserved	0.0044	0.0099	0.5
Schistosoma mansoni	fkbp-rapamycin associated protein	0.013	0.0359	0.4951
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0044	0.0099	0.1491
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0231	0.0664	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0032	0.006	0.0902
Echinococcus multilocularis		0.0044	0.0099	0.0039
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0231	0.0664	0.0607
Trypanosoma cruzi	target of rapamycin kinase 3	0.0231	0.0664	0.191
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0044	0.0099	0.1491
Leishmania major	alpha glucosidase II subunit, putative	0.0032	0.006	0.0166
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0044	0.0099	0.0039
Leishmania major	hypothetical protein, conserved	0.1204	0.3609	1
Schistosoma mansoni	tyrosine kinase	0.0045	0.0102	0.0699
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0045	0.0102	0.0042
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0044	0.0099	0.0648
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0231	0.0664	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.013	0.0359	0.5406
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.0099	0.1491
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0044	0.0099	0.0274
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.0099	0.1491
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0231	0.0664	0.191
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0045	0.0102	0.0042
Trichomonas vaginalis	PIKK family atypical protein kinase	0.013	0.0359	0.5406
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0045	0.0102	0.0042
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.0099	0.1491
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0142	0.0394	0.0337
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0044	0.0099	0.0648
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.013	0.0359	0.5406
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0044	0.0099	0.0648
Entamoeba histolytica	hypothetical protein	0.0044	0.0099	0.1491
Loa Loa (eye worm)	phosphatidylinositol 3	0.0231	0.0664	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0044	0.0099	0.1491
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0231	0.0664	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0046	0.0104	0.0044
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0044	0.0099	0.1491
Schistosoma mansoni	tyrosine kinase	0.0045	0.0102	0.0699
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0044	0.0099	0.0648
Loa Loa (eye worm)	TK protein kinase	0.0036	0.0075	0.1129
Leishmania major	hypothetical protein, unknown function	0.0044	0.0099	0.0274
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0664	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.013	0.0359	0.5406
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0032	0.006	0.0902
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0032	0.006	0.0902
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0044	0.0099	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0231	0.0664	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0044	0.0099	0.1491

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.311 uM	Inhibition of human Chk1 expressed in Sf9 cells	ChEMBL.	17722905
IC50 (binding)	= 0.311 uM	Inhibition of human Chk1	ChEMBL.	18321713
IC50 (binding)	= 0.311 uM	Inhibition of human Chk1 expressed in Sf9 cells	ChEMBL.	17722905
IC50 (binding)	= 0.311 uM	Inhibition of human Chk1	ChEMBL.	18321713
IC50 (functional)	= 1.1 uM	Antiproliferative activity against mouse L1210 cells after 4 hrs by microculture tetrazolium assay	ChEMBL.	17722905
IC50 (functional)	= 1.1 uM	Cytotoxicity against mouse L1210 cells after 4 hrs by microculture tetrazolium assay	ChEMBL.	18321713
IC50 (functional)	= 1.1 uM	Antiproliferative activity against mouse L1210 cells after 4 hrs by microculture tetrazolium assay	ChEMBL.	17722905
IC50 (functional)	= 1.1 uM	Cytotoxicity against mouse L1210 cells after 4 hrs by microculture tetrazolium assay	ChEMBL.	18321713
IC50 (functional)	= 3.1 uM	Antiproliferative activity against human HCT116 cells after 4 hrs by microculture tetrazolium assay	ChEMBL.	17722905
IC50 (functional)	= 3.1 uM	Cytotoxicity against human HCT116 cells after 4 hrs by microculture tetrazolium assay	ChEMBL.	18321713
IC50 (functional)	= 3.1 uM	Antiproliferative activity against human HCT116 cells after 4 hrs by microculture tetrazolium assay	ChEMBL.	17722905
IC50 (functional)	= 3.1 uM	Cytotoxicity against human HCT116 cells after 4 hrs by microculture tetrazolium assay	ChEMBL.	18321713
IC50 (functional)	= 5.6 uM	Antiproliferative activity against human HT29 cells after 4 hrs by microculture tetrazolium assay	ChEMBL.	17722905
IC50 (functional)	= 5.6 uM	Cytotoxicity against human HT29 cells after 4 hrs by microculture tetrazolium assay	ChEMBL.	18321713
IC50 (functional)	= 5.6 uM	Antiproliferative activity against human HT29 cells after 4 hrs by microculture tetrazolium assay	ChEMBL.	17722905
IC50 (functional)	= 5.6 uM	Cytotoxicity against human HT29 cells after 4 hrs by microculture tetrazolium assay	ChEMBL.	18321713
Inhibition (binding)	= 2.5 %	Inhibition of Src at 10 uM	ChEMBL.	17722905
Inhibition (binding)	= 2.5 %	Inhibition of Src at 10 uM	ChEMBL.	17722905
Inhibition (binding)	= 96 %	Inhibition of human Chk1 expressed in Sf9 cells at 10 uM	ChEMBL.	17722905
Inhibition (binding)	= 96 %	Inhibition of human Chk1 at 10 uM	ChEMBL.	18321713
Inhibition (binding)	= 96 %	Inhibition of human Chk1 expressed in Sf9 cells at 10 uM	ChEMBL.	17722905
Inhibition (binding)	= 96 %	Inhibition of human Chk1 at 10 uM	ChEMBL.	18321713

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17722905
Mus musculus	ChEMBL23	17722905

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: CHEMBL244140
PubChem: 17759427

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 432902