TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 437.531 | Formula: C25H31N3O4
H donors: 0 H acceptors: 4 LogP: 4.39 Rotable bonds: 14
Rule of 5 violations (Lipinski): 1
SMILES: CCN(Cc1ccccc1)CCCCCN(C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])C(=O)C
InChi: 1S/C25H31N3O4/c1-3-26(20-23-10-6-4-7-11-23)18-8-5-9-19-27(21(2)29)25(30)17-14-22-12-15-24(16-13-22)28(31)32/h4,6-7,10-17H,3,5,8-9,18-20H2,1-2H3/b17-14+
InChiKey: FNNJASPFRMWKET-SAPNQHFASA-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
Rattus norvegicus	Acetylcholinesterase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	acetylcholinesterase 1	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	carboxylesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Acetylcholinesterase 1 precursor, putative	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	614 aa	642 aa	34.0 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	632 aa	25.6 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	614 aa	573 aa	30.5 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	614 aa	547 aa	32.5 %
Onchocerca volvulus	Putative nuclear protein	Acetylcholinesterase	614 aa	577 aa	40.7 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	614 aa	564 aa	29.8 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	614 aa	507 aa	26.4 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	583 aa	30.7 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	614 aa	642 aa	34.1 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	614 aa	574 aa	24.0 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	614 aa	496 aa	24.0 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	614 aa	570 aa	25.4 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	614 aa	602 aa	24.3 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Acetylcholinesterase	614 aa	531 aa	39.7 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	581 aa	27.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0737	0.1861	0.1861
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0051	0.0093	0.0093
Schistosoma mansoni	immunophilin	0.0051	0.0093	0.0093
Trypanosoma cruzi	target of rapamycin kinase 3	0.3103	0.7954	0.7952
Schistosoma mansoni	voltage-gated potassium channel	0.008	0.017	0.017
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0251	0.061	0.0597
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0251	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2898	0.7428	0.7428
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.3897	1	1
Echinococcus multilocularis	voltage gated potassium channel	0.0021	0.0017	0.0017
Schistosoma mansoni	immunophilin	0.0059	0.0114	0.0114
Leishmania major	hypothetical protein, unknown function	0.0251	0.061	0.0502
Entamoeba histolytica	hypothetical protein	0.0251	0.061	0.0597
Echinococcus multilocularis	Zinc finger, PHD finger	0.0251	0.061	0.061
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0251	0.061	0.061
Loa Loa (eye worm)	phosphatidylinositol 3	0.3897	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0082	0.0173	0.0173
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.3103	0.7954	0.7945
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0059	0.0114	0.0114
Schistosoma mansoni	voltage-gated potassium channel	0.008	0.017	0.017
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0737	0.1861	0.1861
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0486	0.1213	0.1201
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0251	0.061	0.0502
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.3897	1	1
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0251	0.061	1
Mycobacterium leprae	conserved hypothetical protein	0.0251	0.061	0.5
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1307	0.3329	0.3329
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0251	0.061	0.061
Toxoplasma gondii	FATC domain-containing protein	0.0737	0.1861	0.2464
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0251	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2328	0.596	0.596
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2101	0.5374	0.5374
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0059	0.0114	0.0114
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0251	0.061	1
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.002	0.0014	0.0014
Echinococcus multilocularis	Glutaredoxin protein 5	0.002	0.0014	0.0014
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.3897	1	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0017	0.0017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1307	0.3329	0.3329
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0059	0.0114	0.0069
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0251	0.061	0.061
Trichomonas vaginalis	conserved hypothetical protein	0.0486	0.1213	0.1213
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.3897	1	1
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0022	0.0019	0.0005
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0032	0.0046	0.0046
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0251	0.061	0.0771
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0251	0.061	0.061
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0251	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1307	0.3329	0.3329
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0059	0.0114	0.0114
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0251	0.061	0.061
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.1619	0.4132	0.4105
Echinococcus granulosus	serine/threonine protein kinase	0.0022	0.0019	0.0019
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0251	0.061	0.5
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.3897	1	1
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0251	0.061	0.061
Trypanosoma cruzi	Protein kinase B	0.0022	0.0019	0.0005
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0251	0.061	1
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0251	0.061	1
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0737	0.1861	0.1861
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1307	0.3329	0.3298
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0251	0.061	0.0597
Loa Loa (eye worm)	acetylcholinesterase 1	0.0082	0.0173	0.0173
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0251	0.061	0.0771
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0022	0.0019	0.0005
Echinococcus multilocularis	carboxylesterase 5A	0.0082	0.0173	0.0173
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0251	0.061	0.0597
Echinococcus granulosus	acetylcholinesterase	0.0082	0.0173	0.0173
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0251	0.061	0.0597
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0021	0.0017	0.0017
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0251	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3099	0.7946	0.7946
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0251	0.061	0.0771
Brugia malayi	FAT domain containing protein	0.057	0.143	0.143
Loa Loa (eye worm)	hypothetical protein	0.0251	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2104	0.5382	0.5382
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2898	0.7428	0.7428
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0737	0.1861	0.1861
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0251	0.061	0.0597
Plasmodium vivax	hypothetical protein	0.0251	0.061	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0251	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3327	0.8532	0.8532
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0251	0.061	0.061
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0251	0.061	0.061
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0074	0.0152	0.0152
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0251	0.061	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0251	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3897	1	1
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0251	0.061	0.061
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1307	0.3329	0.3319
Echinococcus granulosus	Glutaredoxin protein 5	0.002	0.0014	0.0014
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0251	0.061	0.061
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0737	0.1861	0.1861
Schistosoma mansoni	serine/threonine-protein kinase	0.0022	0.0019	0.0019
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.0017	0.0017
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0021	0.0017	0.0017
Brugia malayi	Carboxylesterase family protein	0.0082	0.0173	0.0173
Loa Loa (eye worm)	phosphatidylinositol 3	0.0251	0.061	0.061
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0251	0.061	0.061
Loa Loa (eye worm)	hypothetical protein	0.0794	0.2008	0.2008
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0059	0.0114	0.0114
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0486	0.1213	0.1213
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.0173	0.0173
Brugia malayi	p70 ribosomal S6 kinase beta	0.003	0.004	0.004
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1046	0.2656	0.2656
Echinococcus granulosus	voltage gated potassium channel	0.0021	0.0017	0.0017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2305	0.5901	0.5901
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.057	0.143	0.143
Echinococcus granulosus	serine threonine protein kinase nrc	0.002	0.0014	0.0014
Leishmania major	phosphatidylinositol kinase, putative	0.0251	0.061	0.0502
Schistosoma mansoni	serine/threonine-protein kinase	0.0022	0.0019	0.0019
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0251	0.061	0.0597
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1307	0.3329	0.3252
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0737	0.1861	0.1861
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.3897	1	1
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0737	0.1861	0.1849
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0059	0.0114	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0737	0.1861	0.1861
Trichomonas vaginalis	fk506-binding protein, putative	0.0059	0.0114	0.0114
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1307	0.3329	0.3329
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0059	0.0114	0.1673
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1307	0.3329	0.3329
Trichomonas vaginalis	AGC family protein kinase	0.0032	0.0046	0.0046
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0821	0.2078	0.2758
Trichomonas vaginalis	AGC family protein kinase	0.0032	0.0046	0.0046
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0059	0.0114	0.0114
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0059	0.0114	0.5
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0251	0.061	0.061
Loa Loa (eye worm)	carboxylesterase	0.0082	0.0173	0.0173
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0251	0.061	0.061
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.002	0.0014	0.0014
Loa Loa (eye worm)	phosphatidylinositol 3	0.0251	0.061	0.061
Schistosoma mansoni	hypothetical protein	0.057	0.143	0.143
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2328	0.596	0.596
Loa Loa (eye worm)	hypothetical protein	0.0486	0.1213	0.1213
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0251	0.061	0.061
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0251	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2101	0.5374	0.5374
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0127	0.0127
Giardia lamblia	Hypothetical protein	0.0251	0.061	0.0597
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0251	0.061	0.0597
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0251	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2305	0.5901	0.5901
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0074	0.0152	0.0152
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0251	0.061	0.0502
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.3897	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2898	0.7428	0.7428
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0059	0.0114	0.01
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0251	0.061	0.061
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0737	0.1861	0.1849
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2104	0.5382	0.5382
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0251	0.061	0.0597
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0059	0.0114	0.1673
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0251	0.061	0.0597
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0251	0.061	0.061
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0059	0.0114	0.01
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0251	0.061	0.0597
Trichomonas vaginalis	AGC family protein kinase	0.0032	0.0046	0.0046
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0251	0.061	0.0567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2898	0.7428	0.7428
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2614	0.6695	0.6695
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0251	0.061	0.061
Echinococcus granulosus	acetylcholinesterase	0.0082	0.0173	0.0173
Trichomonas vaginalis	conserved hypothetical protein	0.057	0.143	0.143
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0251	0.061	0.0597
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3897	1	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0074	0.0152	0.0152
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0251	0.061	0.0502
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0251	0.061	0.0597
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0251	0.061	0.061
Entamoeba histolytica	hypothetical protein	0.0737	0.1861	0.1849
Loa Loa (eye worm)	hypothetical protein	0.0821	0.2078	0.2078
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0022	0.0019	0.0005
Loa Loa (eye worm)	hypothetical protein	0.057	0.143	0.143
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0251	0.061	0.0597
Giardia lamblia	GTOR	0.3897	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0821	0.2078	0.2078
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0059	0.0114	0.01
Onchocerca volvulus		0.0251	0.061	0.5
Echinococcus multilocularis	fk506 binding protein	0.0059	0.0114	0.0114
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0251	0.061	0.061
Entamoeba histolytica	hypothetical protein	0.0251	0.061	0.0597
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0059	0.0114	0.01
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0251	0.061	0.061
Schistosoma mansoni	immunophilin	0.0059	0.0114	0.0114
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2898	0.7428	0.7428
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0251	0.061	0.061
Schistosoma mansoni	voltage-gated potassium channel	0.0021	0.0017	0.0017
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0251	0.061	0.0597
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0251	0.061	0.0771
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0251	0.061	0.061
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0251	0.061	0.0567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2898	0.7428	0.7428
Toxoplasma gondii	target of rapamycin (TOR), putative	0.2898	0.7428	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0251	0.061	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0093	0.0093
Entamoeba histolytica	protein kinase, putative	0.003	0.004	0.0026
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0021	0.0017	0.0017
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0069	0.014	0.014
Loa Loa (eye worm)	FKBP5 protein	0.0059	0.0114	0.0114
Schistosoma mansoni	hypothetical protein	0.0251	0.061	0.061
Trichomonas vaginalis	immunophilin, putative	0.0059	0.0114	0.0114
Plasmodium vivax	hypothetical protein, conserved	0.0251	0.061	1
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.002	0.0014	0.0014
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.057	0.143	0.143
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0737	0.1861	0.1861
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0069	0.014	0.014
Entamoeba histolytica	hypothetical protein	0.0251	0.061	0.0597
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0251	0.061	0.0597
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2104	0.5382	0.5382
Echinococcus multilocularis	nervana 2	0.002	0.0014	0.0014
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0251	0.061	0.0597
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3099	0.7946	0.7946
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0173	0.0173
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2101	0.5374	0.5374
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0251	0.061	0.0502
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1307	0.3329	0.3329
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0737	0.1861	0.1849
Loa Loa (eye worm)	phosphatidylinositol 3	0.0251	0.061	0.061
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0251	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2898	0.7428	0.7428
Echinococcus multilocularis	serine protein kinase ATM	0.0737	0.1861	0.1861
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.0173	0.0173
Onchocerca volvulus		0.0251	0.061	0.5
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0059	0.0114	0.01
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0251	0.061	0.061
Echinococcus granulosus	serine protein kinase ATM	0.0737	0.1861	0.1861
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0251	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2104	0.5382	0.5382
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1307	0.3329	0.3252
Brugia malayi	Protein kinase domain containing protein	0.0032	0.0046	0.0046
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0251	0.061	0.0597
Echinococcus multilocularis	rac serine:threonine kinase	0.0022	0.0019	0.0019
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0737	0.1861	0.1861
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3897	1	1
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0251	0.061	0.061
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0251	0.061	0.061
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0251	0.061	0.061
Leishmania major	hypothetical protein, conserved	0.0251	0.061	0.0502
Entamoeba histolytica	protein kinase rad3, putative	0.0737	0.1861	0.1849
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0251	0.061	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0059	0.0114	0.01
Loa Loa (eye worm)	phosphatidylinositol 3	0.0251	0.061	0.061
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0059	0.0114	0.0114
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.1843	0.4709	0.4685
Echinococcus multilocularis		0.0251	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3099	0.7946	0.7946
Trichomonas vaginalis	AGC family protein kinase	0.0032	0.0046	0.0046
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.3897	1	1
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0059	0.0114	0.0114
Entamoeba histolytica	protein kinase, putative	0.0032	0.0046	0.0031
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.3897	1	1
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0251	0.061	0.061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1307	0.3329	0.3329
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0059	0.0114	0.5
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1307	0.3329	0.3298
Trichomonas vaginalis	AGC family protein kinase	0.0032	0.0046	0.0046
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.002	0.0014	0.0014
Trichomonas vaginalis	PIKK family atypical protein kinase	0.253	0.6479	0.6479
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0251	0.061	1
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0059	0.0114	0.01
Echinococcus granulosus	carboxylesterase 5A	0.0082	0.0173	0.0173
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0251	0.061	0.0597
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0251	0.061	0.061
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0251	0.061	0.0771
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1307	0.3329	0.3319
Entamoeba histolytica	protein kinase, putative	0.0032	0.0046	0.0031
Loa Loa (eye worm)	phosphatidylinositol 3	0.0251	0.061	0.061
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0059	0.0114	0.0114
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1307	0.3329	0.3329
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0059	0.0114	0.0114
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0251	0.061	0.061
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1307	0.3329	0.3329
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3099	0.7946	0.7946
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0251	0.061	0.061
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0251	0.061	0.061
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0251	0.061	0.061
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.3897	1	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0173	0.0173
Loa Loa (eye worm)	phosphatidylinositol 3	0.1307	0.3329	0.3329
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2328	0.596	0.596
Trichomonas vaginalis	AGC family protein kinase	0.0032	0.0046	0.0046
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0251	0.061	0.061
Echinococcus granulosus	nervana 2	0.002	0.0014	0.0014
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.3897	1	1
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0059	0.0114	0.01
Entamoeba histolytica	hypothetical protein	0.0251	0.061	0.0597
Echinococcus granulosus	nervana 2	0.002	0.0014	0.0014
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.3103	0.7954	0.7931
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0251	0.061	0.061
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0051	0.0093	0.0093
Echinococcus multilocularis	nervana 2	0.002	0.0014	0.0014
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.003	0.004	0.004
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0251	0.061	0.0597
Brugia malayi	Carboxylesterase family protein	0.0082	0.0173	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0251	0.061	0.061
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0074	0.0152	0.0152
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0251	0.061	0.0597
Trichomonas vaginalis	AGC family protein kinase	0.0032	0.0046	0.0046
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0251	0.061	0.061
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0737	0.1861	0.1861
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0251	0.061	0.0567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3099	0.7946	0.7946
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0737	0.1861	0.1824
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0251	0.061	0.0567

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 529 nM	Inhibition concentration against rat acetylcholinesterase	ChEMBL.	7932538
IC50 (binding)	= 539 nM	Inhibition concentration against rat acetylcholinesterase	ChEMBL.	7932538

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 176389