TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 362.428 | Formula: C20H22N6O
H donors: 4 H acceptors: 1 LogP: 0.67 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=c1[nH]nc2n1c1cc(ccc1c(c2)CN[C@@H]1CCCNC1)c1ccc[nH]1
InChi: 1S/C20H22N6O/c27-20-25-24-19-10-14(11-23-15-3-1-7-21-12-15)16-6-5-13(9-18(16)26(19)20)17-4-2-8-22-17/h2,4-6,8-10,15,21-23H,1,3,7,11-12H2,(H,25,27)/t15-/m1/s1
InChiKey: WEWWRQBKJHIYIV-OAHLLOKOSA-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
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 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
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_130454	All targets in OG5_130454
Schistosoma japonicum	Serine/threonine-protein kinase Chk1, putative	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
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0059	0.0077	0.0076
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0323	0.0607	0.0606
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0323	0.0607	0.5
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0323	0.0607	0.0606
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2698	0.5373	0.5371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2961	0.59	0.5898
Leishmania major	hypothetical protein, unknown function	0.0323	0.0607	0.0534
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0059	0.0077	0.0074
Loa Loa (eye worm)	phosphatidylinositol 3	0.0323	0.0607	0.0604
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0323	0.0607	0.0606
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0022	0.0003	0.0003
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0323	0.0607	0.079
Loa Loa (eye worm)	hypothetical protein	0.0624	0.1211	0.1208
Trichomonas vaginalis	PIKK family atypical protein kinase	0.299	0.5959	0.5958
Loa Loa (eye worm)	hypothetical protein	0.0732	0.1428	0.1425
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0059	0.0077	0.0074
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0323	0.0607	0.0606
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0026	0.0023
Schistosoma mansoni	immunophilin	0.0051	0.0061	0.0058
Entamoeba histolytica	hypothetical protein	0.0323	0.0607	0.0606
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0323	0.0607	0.0604
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0323	0.0607	0.0583
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.5004	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3722	0.7427	0.7426
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0059	0.0077	0.0077
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0323	0.0607	0.0607
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2702	0.5381	0.538
Mycobacterium leprae	conserved hypothetical protein	0.0323	0.0607	0.5
Entamoeba histolytica	hypothetical protein	0.0947	0.1859	0.1857
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0947	0.1859	0.1859
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0323	0.0607	0.0604
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1678	0.3327	0.3327
Entamoeba histolytica	protein kinase rad3, putative	0.0947	0.1859	0.1857
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0059	0.0077	0.0076
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.5004	1	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0021	0.0002	0.0002
Trichomonas vaginalis	conserved hypothetical protein	0.0732	0.1428	0.1425
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0323	0.0607	0.0534
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0022	0.0003	0.0003
Trichomonas vaginalis	conserved hypothetical protein	0.1055	0.2076	0.2073
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0032	0.0023	0.0023
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0323	0.0607	0.0604
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0323	0.0607	0.0607
Schistosoma mansoni	voltage-gated potassium channel	0.012	0.02	0.0197
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0032	0.0023	0.002
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0059	0.0077	0.0077
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0059	0.0077	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0947	0.1859	0.1856
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0051	0.0061	0.0061
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1678	0.3327	0.3326
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1678	0.3327	0.3325
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0059	0.0077	0.0077
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0022	0.0003	0.0003
Toxoplasma gondii	FATC domain-containing protein	0.0947	0.1859	0.248
Trypanosoma cruzi	Protein kinase B	0.0023	0.0006	0.0004
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0021	0.0002	0.0002
Loa Loa (eye worm)	phosphatidylinositol 3	0.0323	0.0607	0.0604
Echinococcus multilocularis	rac serine:threonine kinase	0.0023	0.0006	0.0006
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0059	0.0077	0.0076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2961	0.59	0.5898
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1343	0.2654	0.2651
Echinococcus granulosus	hyperpolarization activated cyclic	0.0022	0.0003	0.0003
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0323	0.0607	0.0604
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0022	0.0003	0.0003
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0202	0.0366	0.0362
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0624	0.1211	0.1209
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0323	0.0607	0.0604
Loa Loa (eye worm)	hypothetical protein	0.102	0.2006	0.2003
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0059	0.0077	0.125
Giardia lamblia	Hypothetical protein	0.0323	0.0607	0.0606
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2702	0.5381	0.538
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3722	0.7427	0.7426
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0947	0.1859	0.1857
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0323	0.0607	1
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0323	0.0607	1
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0732	0.1428	0.1428
Trichomonas vaginalis	PIKK family atypical protein kinase	0.398	0.7946	0.7945
Loa Loa (eye worm)	phosphatidylinositol 3	0.0323	0.0607	0.0604
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0323	0.0607	0.079
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0323	0.0607	0.0606
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0059	0.0077	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4273	0.8532	0.8531
Loa Loa (eye worm)	phosphatidylinositol 3	0.0323	0.0607	0.0604
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1678	0.3327	0.3327
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.5004	1	1
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0323	0.0607	0.0607
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0323	0.0607	0.0604
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0323	0.0607	0.0606
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0323	0.0607	0.0604
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0323	0.0607	0.0606
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0947	0.1859	0.1856
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0323	0.0607	0.0604
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1678	0.3327	0.3275
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0323	0.0607	0.0606
Schistosoma mansoni	serine/threonine-protein kinase	0.0023	0.0006	0.0002
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0323	0.0607	0.0606
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0323	0.0607	0.0604
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0022	0.0003	0.0003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5004	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0202	0.0366	0.0362
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0323	0.0607	0.0604
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0323	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0151	0.0148
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0022	0.0003	0.0003
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.011	0.018	0.0177
Echinococcus granulosus	serine/threonine protein kinase	0.0023	0.0006	0.0006
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0323	0.0607	0.0604
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0323	0.0607	0.0604
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.5004	1	1
Trichomonas vaginalis	fk506-binding protein, putative	0.0059	0.0077	0.0074
Loa Loa (eye worm)	phosphatidylinositol 3	0.1678	0.3327	0.3325
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0022	0.0003	0.0003
Trichomonas vaginalis	conserved hypothetical protein	0.0624	0.1211	0.1208
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0323	0.0607	1
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0059	0.0077	0.5
Echinococcus granulosus	serine threonine protein kinase nrc	0.0021	0.0002	0.0002
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0026	0.0023
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0323	0.0607	0.0607
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1678	0.3327	0.3309
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0323	0.0607	0.0604
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.2079	0.413	0.4114
Schistosoma mansoni	voltage-gated potassium channel	0.0032	0.0023	0.002
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0323	0.0607	1
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0023	0.0006	0.0004
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.5004	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0323	0.0607	0.0604
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0947	0.1859	0.1857
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0624	0.1211	0.1208
Leishmania major	phosphatidylinositol kinase, putative	0.0323	0.0607	0.0534
Trypanosoma cruzi	target of rapamycin kinase 3	0.3985	0.7954	0.7954
Loa Loa (eye worm)	FKBP5 protein	0.0059	0.0077	0.0074
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0059	0.0077	0.0076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2698	0.5373	0.5371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.299	0.5959	0.5958
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0323	0.0607	0.0604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1678	0.3327	0.3325
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0323	0.0607	0.0604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0947	0.1859	0.1856
Loa Loa (eye worm)	phosphatidylinositol 3	0.0323	0.0607	0.0604
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.5004	1	1
Plasmodium vivax	hypothetical protein	0.0323	0.0607	1
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0323	0.0607	0.0607
Toxoplasma gondii	target of rapamycin (TOR), putative	0.3722	0.7427	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0947	0.1859	0.1856
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0026	0.0023
Brugia malayi	Protein kinase domain containing protein	0.0033	0.0026	0.0023
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0323	0.0607	0.0606
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.3985	0.7954	0.7938
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0059	0.0077	0.0076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5004	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0102	0.0165	0.0162
Giardia lamblia	GTOR	0.5004	1	1
Echinococcus granulosus	hyperpolarization activated cyclic	0.0022	0.0003	0.0003
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0323	0.0607	0.0604
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0323	0.0607	0.0604
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0323	0.0607	0.0604
Entamoeba histolytica	protein kinase, putative	0.0033	0.0026	0.0025
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0323	0.0607	0.0534
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0323	0.0607	0.0606
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.011	0.018	0.018
Entamoeba histolytica	protein kinase, putative	0.0031	0.0022	0.0021
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.3985	0.7954	0.7949
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0026	0.0023
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0323	0.0607	0.0604
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0323	0.0607	0.0583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.398	0.7946	0.7945
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0947	0.1859	0.1837
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0323	0.0607	0.0583
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0947	0.1859	0.1856
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0059	0.0077	0.0074
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0323	0.0607	0.0606
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0323	0.0607	0.0604
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0323	0.0607	0.0606
Echinococcus multilocularis	voltage gated potassium channel	0.0032	0.0023	0.0023
Trichomonas vaginalis	PIKK family atypical protein kinase	0.398	0.7946	0.7945
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0323	0.0607	0.0604
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1678	0.3327	0.3326
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1678	0.3327	0.3325
Brugia malayi	p70 ribosomal S6 kinase beta	0.0031	0.0022	0.0019
Echinococcus multilocularis	fk506 binding protein	0.0059	0.0077	0.0077
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0323	0.0607	0.0606
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1678	0.3327	0.3325
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0026	0.0023
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0323	0.0607	0.0604
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0323	0.0607	0.0607
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.5004	1	1
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0059	0.0077	0.125
Echinococcus granulosus	voltage gated potassium channel	0.0032	0.0023	0.0023
Onchocerca volvulus		0.0323	0.0607	0.5
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.5004	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0323	0.0607	0.0606
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0323	0.0607	0.0607
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1678	0.3327	0.3325
Trichomonas vaginalis	PIKK family atypical protein kinase	0.299	0.5959	0.5958
Schistosoma mansoni	voltage-gated potassium channel	0.012	0.02	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0023	0.002
Loa Loa (eye worm)	phosphatidylinositol 3	0.5004	1	1
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0059	0.0077	0.0051
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1678	0.3327	0.3325
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0323	0.0607	0.0607
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0026	0.0023
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.5004	1	1
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0323	0.0607	0.0607
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0323	0.0607	0.0604
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0032	0.0023	0.0023
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1678	0.3327	0.3309
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3249	0.6478	0.6476
Schistosoma mansoni	hypothetical protein	0.0323	0.0607	0.0604
Schistosoma mansoni	immunophilin	0.0059	0.0077	0.0074
Brugia malayi	Protein kinase domain containing protein	0.0202	0.0366	0.0362
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0323	0.0607	0.079
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5004	1	1
Loa Loa (eye worm)	hypothetical protein	0.0323	0.0607	0.0604
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0323	0.0607	0.0604
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0323	0.0607	0.0604
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0947	0.1859	0.1856
Plasmodium vivax	hypothetical protein, conserved	0.0323	0.0607	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0323	0.0607	0.0534
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0323	0.0607	0.0604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2702	0.5381	0.538
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0323	0.0607	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0006	0.0004
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0947	0.1859	0.1859
Schistosoma mansoni	voltage-gated potassium channel	0.0032	0.0023	0.002
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1678	0.3327	0.3325
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0031	0.0022	0.0019
Entamoeba histolytica	hypothetical protein	0.0323	0.0607	0.0606
Entamoeba histolytica	protein kinase, putative	0.0033	0.0026	0.0025
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0059	0.0077	0.0074
Trichomonas vaginalis	PIKK family atypical protein kinase	0.398	0.7946	0.7945
Loa Loa (eye worm)	hypothetical protein	0.0323	0.0607	0.0604
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.2367	0.4708	0.4694
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1678	0.3327	0.3275
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0947	0.1859	0.1857
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2702	0.5381	0.538
Trichomonas vaginalis	PIKK family atypical protein kinase	0.398	0.7946	0.7945
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0323	0.0607	0.0606
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.011	0.018	0.018
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0323	0.0607	0.0606
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2698	0.5373	0.5371
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0323	0.0607	0.0583
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0059	0.0077	0.0076
Echinococcus multilocularis		0.0323	0.0607	0.0607
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0102	0.0165	0.0162
Onchocerca volvulus		0.0323	0.0607	0.5
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0947	0.1859	0.1856
Echinococcus multilocularis	Zinc finger, PHD finger	0.0323	0.0607	0.0607
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0323	0.0607	0.0604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3722	0.7427	0.7426
Echinococcus multilocularis	serine protein kinase ATM	0.0947	0.1859	0.1859
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0323	0.0607	0.0604
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0059	0.0077	0.0051
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0059	0.0077	0.0076
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0022	0.0003	0.0003
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0006	0.0004
Brugia malayi	FAT domain containing protein	0.0732	0.1428	0.1425
Echinococcus granulosus	serine protein kinase ATM	0.0947	0.1859	0.1859
Entamoeba histolytica	hypothetical protein	0.0323	0.0607	0.0606
Schistosoma mansoni	immunophilin	0.0059	0.0077	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0061	0.0058
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0323	0.0607	1
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0059	0.0077	0.0074
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0323	0.0607	0.0607
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0323	0.0607	0.0606
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0051	0.0061	0.0061
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0026	0.0023
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0323	0.0607	0.0607
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0323	0.0607	0.0604
Loa Loa (eye worm)	hypothetical protein	0.1055	0.2076	0.2073
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.5004	1	1
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0059	0.0077	0.0076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3722	0.7427	0.7426
Leishmania major	hypothetical protein, conserved	0.0323	0.0607	0.0534
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0323	0.0607	0.0607
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0033	0.0026	0.0023
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3722	0.7427	0.7426
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3722	0.7427	0.7426
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0323	0.0607	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0323	0.0607	0.0606
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0022	0.0003	0.0003
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0323	0.0607	0.079
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0323	0.0607	0.0607
Entamoeba histolytica	hypothetical protein	0.0323	0.0607	0.0606
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.011	0.018	0.0177
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3357	0.6694	0.6693
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3722	0.7427	0.7426
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0323	0.0607	0.079
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0732	0.1428	0.1428
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0947	0.1859	0.1856
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0323	0.0607	0.0534
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0323	0.0607	0.0606
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0323	0.0607	0.0604
Schistosoma mansoni	hypothetical protein	0.0732	0.1428	0.1425
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0323	0.0607	0.0606
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.1055	0.2076	0.2773
Schistosoma mansoni	serine/threonine-protein kinase	0.0023	0.0006	0.0002
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.5004	1	1
Trichomonas vaginalis	immunophilin, putative	0.0059	0.0077	0.0074

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 3.3 uM	Inhibition of camptothecin-induced cell cycle arrest in human HT-29 cells assessed as abrogation at G2/M checkpoint measuring phosphohistone-H3 level treated with compound 2 hrs after camptothecin-challenge	ChEMBL.	22342147
IC50 (binding)	= 0.09 uM	Inhibition of Chk1	ChEMBL.	22342147

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	22342147

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: CHEMBL2012874

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1632774