TDR Targets

Basic information

Technical information

TDR Targets ID: 30496
Name: 2-diethylaminoethyl 2-cyclohexyl-2-phenylprop anoate
MW: 331.492 | Formula: C21H33NO2
H donors: 0 H acceptors: 1 LogP: 5.61 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCN(CCOC(=O)C(c1ccccc1)(C1CCCCC1)C)CC
InChi: 1S/C21H33NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19H,4-5,7,10-11,14-17H2,1-3H3
InChiKey: KFFUMWAFMBSHHP-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

2-diethylaminoethyl 2-cyclohexyl-2-phenyl-propanoate
2-cyclohexyl-2-phenylpropanoic acid 2-diethylaminoethyl ester
2-cyclohexyl-2-phenyl-propionic acid 2-diethylaminoethyl ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cholinergic receptor, muscarinic 2	Starlite/ChEMBL	References
Homo sapiens	cholinergic receptor, muscarinic 4	Starlite/ChEMBL	References
Homo sapiens	cholinergic receptor, muscarinic 3	Starlite/ChEMBL	References
Homo sapiens	cholinergic receptor, muscarinic 1	Starlite/ChEMBL	References
Rattus norvegicus	Pancreatic alpha-amylase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Entamoeba histolytica	alpha-amylase family protein	Get druggable targets OG5_128640	All targets in OG5_128640
Trichomonas vaginalis	alpha-amylase, putative	Get druggable targets OG5_128640	All targets in OG5_128640
Trichomonas vaginalis	alpha-amylase, putative	Get druggable targets OG5_128640	All targets in OG5_128640
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133264	All targets in OG5_133264
Trichomonas vaginalis	alpha-amylase, putative	Get druggable targets OG5_128640	All targets in OG5_128640
Trichomonas vaginalis	alpha-amylase, putative	Get druggable targets OG5_128640	All targets in OG5_128640
Trichomonas vaginalis	amylase, putative	Get druggable targets OG5_128640	All targets in OG5_128640
Entamoeba histolytica	alpha-amylase family protein	Get druggable targets OG5_128640	All targets in OG5_128640
Trichomonas vaginalis	amylase, putative	Get druggable targets OG5_128640	All targets in OG5_128640
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133264	All targets in OG5_133264
Trichomonas vaginalis	alpha-amylase, putative	Get druggable targets OG5_128640	All targets in OG5_128640

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 brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0203	0.0119	0.1599
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1056	0.0682	0.0682
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0946	0.061	0.061
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0203	0.0119	1
Trichomonas vaginalis	amylase, putative	0.0057	0.0022	0.0163
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0203	0.0119	0.1599
Leishmania major	hypothetical protein, conserved	0.5503	0.3622	1
Echinococcus multilocularis	lamin	0.0033	0.0006	0.0006
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0203	0.0119	0.0119
Loa Loa (eye worm)	ICD-1 protein	0.0041	0.0011	0.0165
Trichomonas vaginalis	conserved hypothetical protein	0.046	0.0289	0.4133
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0083	0.0039	0.0078
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0663	0.0423	0.6135
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0203	0.0119	0.0309
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0083	0.0039	0.0417
Loa Loa (eye worm)	phosphatidylinositol 3	0.0203	0.0119	0.1738
Schistosoma mansoni	lipoxygenase	0.0142	0.0078	0.115
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0203	0.0119	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0392	0.0244	0.0668
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0203	0.0119	0.1599
Echinococcus multilocularis	musashi	0.0033	0.0006	0.0006
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0203	0.0119	1
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0203	0.0119	0.146
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0203	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0663	0.0423	0.6198
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0203	0.0119	0.0119
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0595	0.0378	0.5465
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0203	0.0119	0.0119
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Echinococcus granulosus	lamin dm0	0.0033	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0203	0.0119	0.1738
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.046	0.0289	0.0289
Echinococcus granulosus	intermediate filament protein	0.0033	0.0006	0.0006
Giardia lamblia	Hypothetical protein	0.0203	0.0119	0.146
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Mycobacterium ulcerans	glycogen branching protein	0.0057	0.0022	0.5
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0203	0.0119	0.0119
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0203	0.0119	0.0309
Loa Loa (eye worm)	phosphatidylinositol 3	0.0203	0.0119	0.1738
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0203	0.0119	0.0309
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0006	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0203	0.0119	0.1599
Trichomonas vaginalis	amylase, putative	0.0129	0.007	0.087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0203	0.0119	0.1738
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0022	0.0325
Schistosoma mansoni	starch branching enzyme II	0.0057	0.0022	0.0325
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0595	0.0378	0.1055
Leishmania major	phosphatidylinositol kinase, putative	0.0203	0.0119	0.0297
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1056	0.0682	0.0682
Loa Loa (eye worm)	phosphatidylinositol 3	0.0203	0.0119	0.1738
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0203	0.0119	0.1738
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1056	0.0682	0.193
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0595	0.0378	0.5539
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0203	0.0119	0.1599
Brugia malayi	Raf kinase	0.0486	0.0306	0.4481
Entamoeba histolytica	hypothetical protein	0.0203	0.0119	0.1599
Entamoeba histolytica	protein kinase rad3, putative	0.0595	0.0378	0.5465
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.0039	0.0417
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0142	0.0078	0.0078
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0083	0.0039	0.0417
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0083	0.0039	0.0039
Echinococcus granulosus	transcription factor btf3	0.0041	0.0011	0.0011
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0203	0.0119	0.0309
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0203	0.0119	0.1599
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0203	0.0119	0.0297
Brugia malayi	beta-NAC-like protein	0.0041	0.0011	0.0165
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0595	0.0378	0.0378
Schistosoma mansoni	lipoxygenase	0.01	0.005	0.0734
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.1056	0.0682	0.193
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0083	0.0039	0.0039
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0595	0.0378	0.5465
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0083	0.0039	0.0039
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0595	0.0378	0.5465
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1056	0.0682	0.1858
Entamoeba histolytica	hypothetical protein	0.0203	0.0119	0.1599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0595	0.0378	0.5465
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0006	0.0085
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0203	0.0119	1
Echinococcus granulosus	raf serine:threonine protein kinase	0.0504	0.0317	0.0317
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0203	0.0119	0.1599
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0203	0.0119	0.1738
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0392	0.0244	0.3463
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0039	0.0575
Chlamydia trachomatis	1,4-alpha-glucan branching enzyme	0.0057	0.0022	0.5
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0203	0.0119	0.1738
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0083	0.0039	0.0039
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0595	0.0378	0.5465
Loa Loa (eye worm)	phosphatidylinositol 3	0.1056	0.0682	1
Trichomonas vaginalis	conserved hypothetical protein	0.0392	0.0244	0.3463
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0083	0.0039	0.0417
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0203	0.0119	0.1599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1056	0.0682	0.193
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0203	0.0119	0.0309
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0203	0.0119	0.1738
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1056	0.0682	0.1858
Entamoeba histolytica	alpha-amylase family protein	0.0129	0.007	0.087
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1056	0.0682	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0203	0.0119	0.1738
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0203	0.0119	0.0309
Schistosoma mansoni	hypothetical protein	0.046	0.0289	0.423
Trichomonas vaginalis	alpha-amylase, putative	0.0129	0.007	0.087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Loa Loa (eye worm)	hypothetical protein	0.0513	0.0324	0.4745
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0203	0.0119	0.1599
Schistosoma mansoni	serine/threonine protein kinase	0.0504	0.0317	0.4651
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0291	0.0177	0.2591
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0203	0.0119	0.0297
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0203	0.0119	0.1738
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0203	0.0119	0.1599
Trichomonas vaginalis	alpha-amylase, putative	0.0129	0.007	0.087
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0203	0.0119	0.0119
Mycobacterium leprae	conserved hypothetical protein	0.0203	0.0119	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0203	0.0119	0.1738
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0203	0.0119	0.1599
Onchocerca volvulus		0.0203	0.0119	1
Echinococcus granulosus	serine protein kinase ATM	0.0595	0.0378	0.0378
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.1056	0.0682	1
Loa Loa (eye worm)	hypothetical protein	0.046	0.0289	0.423
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1056	0.0682	0.0682
Echinococcus multilocularis	Zinc finger, PHD finger	0.0203	0.0119	0.0119
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0595	0.0378	0.1055
Entamoeba histolytica	hypothetical protein	0.0203	0.0119	0.1599
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0663	0.0423	0.6135
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1056	0.0682	0.1858
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0142	0.0078	0.0078
Brugia malayi	intermediate filament protein	0.0033	0.0006	0.0085
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0083	0.0039	0.0417
Brugia malayi	FAT domain containing protein	0.046	0.0289	0.423
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0595	0.0378	0.5539
Loa Loa (eye worm)	raf kinase	0.0501	0.0316	0.4627
Schistosoma mansoni	hypothetical protein	0.0203	0.0119	0.1738
Schistosoma mansoni	lamin	0.0033	0.0006	0.0085
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0203	0.0119	0.1738
Schistosoma mansoni	lamin	0.0033	0.0006	0.0085
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0595	0.0378	0.0378
Echinococcus multilocularis	lamin dm0	0.0033	0.0006	0.0006
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0203	0.0119	0.1599
Entamoeba histolytica	alpha-amylase family protein	0.0129	0.007	0.087
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0203	0.0119	0.0309
Entamoeba histolytica	hypothetical protein	0.0595	0.0378	0.5465
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0504	0.0317	0.0317
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0203	0.0119	0.1599
Trichomonas vaginalis	starch branching enzyme II, putative	0.0057	0.0022	0.0163
Echinococcus granulosus	ubiquitin specific protease 41	0.0083	0.0039	0.0039
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0203	0.0119	0.1738
Onchocerca volvulus		0.0033	0.0006	0.0488
Trichomonas vaginalis	alpha-amylase, putative	0.0129	0.007	0.087
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0005	0.0079
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0595	0.0378	0.5465
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0203	0.0119	0.0309
Entamoeba histolytica	hypothetical protein	0.0203	0.0119	0.1599
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0203	0.0119	0.0297
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0083	0.0039	0.0259
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1056	0.0682	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0595	0.0378	0.5465
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.046	0.0289	0.0289
Leishmania major	hypothetical protein, unknown function	0.0203	0.0119	0.0297
Echinococcus multilocularis	serine protein kinase ATM	0.0595	0.0378	0.0378
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1056	0.0682	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0203	0.0119	0.1599
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0203	0.0119	1
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0203	0.0119	0.146
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1056	0.0682	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1056	0.0682	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0203	0.0119	0.1599
Echinococcus granulosus	lamin	0.0033	0.0006	0.0006
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0595	0.0378	0.5465
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0203	0.0119	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0595	0.0378	0.5539
Brugia malayi	follicle stimulating hormone receptor	0.0291	0.0177	0.2591
Loa Loa (eye worm)	phosphatidylinositol 3	0.0203	0.0119	0.1738
Plasmodium vivax	hypothetical protein	0.0203	0.0119	1
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0595	0.0378	0.5539
Trichomonas vaginalis	alpha-amylase, putative	0.0129	0.007	0.087
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1056	0.0682	1
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0203	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0513	0.0324	0.4745
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0203	0.0119	0.1599
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0203	0.0119	0.1738
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0203	0.0119	0.1738
Echinococcus granulosus	glucan 14 alpha branching enzyme 1	0.0057	0.0022	0.0022
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0203	0.0119	0.1599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0203	0.0119	0.0119
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0203	0.0119	0.0119
Plasmodium vivax	hypothetical protein, conserved	0.0203	0.0119	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0203	0.0119	0.1599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0203	0.0119	0.1599
Entamoeba histolytica	1,4-alpha-glucan branching enzyme, putative	0.0057	0.0022	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0392	0.0244	0.3571
Brugia malayi	1,4-alpha-glucan branching enzyme	0.0057	0.0022	0.0325
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	0.0286	0.0173	0.2537
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0203	0.0119	0.1599
Echinococcus multilocularis	ubiquitin specific protease 41	0.0083	0.0039	0.0039
Trichomonas vaginalis	alpha-amylase, putative	0.0115	0.006	0.0731
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0663	0.0423	0.6135
Onchocerca volvulus		0.0203	0.0119	1
Plasmodium falciparum	basic transcription factor 3b, putative	0.0041	0.0011	0.0948
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0083	0.0039	0.0575
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0203	0.0119	0.1599
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	1.5152	1	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0203	0.0119	0.1599
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1056	0.0682	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0203	0.0119	0.1738
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0203	0.0119	0.1599
Trichomonas vaginalis	conserved hypothetical protein	0.0663	0.0423	0.6135
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0203	0.0119	0.1599
Giardia lamblia	GTOR	0.1056	0.0682	1
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0203	0.0119	0.0119
Entamoeba histolytica	1,4-alpha-glucan branching enzyme, putative	0.0057	0.0022	0.0163
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0203	0.0119	0.1599
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0083	0.0039	0.0575
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1056	0.0682	0.193
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0006	0.0085
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0595	0.0378	0.5465
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0203	0.0119	0.1599
Toxoplasma gondii	FATC domain-containing protein	0.0595	0.0378	0.5465
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1056	0.0682	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0203	0.0119	0.1599
Toxoplasma gondii	alpha amylase, catalytic domain-containing protein	0.0057	0.0022	0.0163
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0203	0.0119	0.1599
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0203	0.0119	0.1599
Trichomonas vaginalis	amylase, putative	0.0129	0.007	0.087
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0203	0.0119	0.0309
Onchocerca volvulus		0.0033	0.0006	0.0488
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0203	0.0119	0.146
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0203	0.0119	0.0119
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0203	0.0119	0.1599
Toxoplasma gondii	1,4-alpha-glucan-branching enzyme	0.0057	0.0022	0.0163
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1056	0.0682	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0006	0.0085
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1056	0.0682	1
Loa Loa (eye worm)	hypothetical protein	0.0203	0.0119	0.1738
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1056	0.0682	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0083	0.0039	0.0081
Toxoplasma gondii	glycosyltransferase	0.0057	0.0022	0.0163
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0203	0.0119	0.0309
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0203	0.0119	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0203	0.0119	0.1599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0595	0.0378	0.5465
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0203	0.0119	0.1738
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0203	0.0119	0.1599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0203	0.0119	0.1738
Plasmodium vivax	basic transcription factor 3b, putative	0.0041	0.0011	0.0948
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Loa Loa (eye worm)	hypothetical protein	0.0595	0.0378	0.5539
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0203	0.0119	0.0119
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0006	0.0085
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1056	0.0682	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0203	0.0119	0.1599
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0203	0.0119	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0203	0.0119	0.1738
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0203	0.0119	0.0297
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0203	0.0119	0.1738
Echinococcus multilocularis		0.0203	0.0119	0.0119
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0083	0.0039	0.0081
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1056	0.0682	0.1858
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1056	0.0682	0.1858
Schistosoma mansoni	transcription factor btf3	0.0041	0.0011	0.0165
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0203	0.0119	0.1599
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1056	0.0682	0.193
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0083	0.0039	0.0575
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1056	0.0682	1
Echinococcus multilocularis	transcription factor btf3	0.0041	0.0011	0.0011
Trypanosoma cruzi	hypothetical protein, conserved	0.53	0.3487	1
Echinococcus multilocularis	glucan (1,4 alpha), branching enzyme 1	0.0057	0.0022	0.0022

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.000000052 M	Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.	ChEMBL.	1560441
IC50 (binding)	= 0.000000052 M	Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.	ChEMBL.	1560441
KB (functional)	= 4 M	Inhibitory activity against guinea pig ileum contraction	ChEMBL.	1560441
Ki (binding)	= 4 nM	Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine receptor M1 subtype	ChEMBL.	1560441
Ki (binding)	= 4 nM	Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine receptor M1 subtype	ChEMBL.	1560441
Ki (binding)	= 9.9 nM	Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Muscarinic acetylcholine receptor M3 subtype	ChEMBL.	1560441
Ki (binding)	= 9.9 nM	Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Muscarinic acetylcholine receptor M3 subtype	ChEMBL.	1560441
Ki (binding)	= 18.5 nM	Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine receptor M4 subtype	ChEMBL.	1560441
Ki (binding)	= 18.5 nM	Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine receptor M4 subtype	ChEMBL.	1560441
Ki (binding)	= 23.4 nM	Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine receptor M2 subtype	ChEMBL.	1560441
Ki (binding)	= 23.4 nM	Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine receptor M2 subtype	ChEMBL.	1560441
Selectivity (binding)	= 16.7	Selectivity ratio of the compound relative to atropine is [(atropine IC50 value for pancreas)/(compound IC50 value for pancreas)] / [(atropine KB value for ileum) /(compound KB value for ileum)]	ChEMBL.	1560441
Selectivity ratio (binding)	= 1.3	Selectivity index is defined as the ratio of Ki value for M4 receptor / Ki value for M2 receptor	ChEMBL.	1560441
Selectivity ratio (binding)	= 1.9	Selectivity index is defined as the ratio of Ki value for m3 receptor / Ki value for M4 receptor	ChEMBL.	1560441
Selectivity ratio (binding)	= 2.3	Selectivity index is defined as the ratio of Ki value for m3 receptor / Ki value for M2 receptor	ChEMBL.	1560441
Selectivity ratio (binding)	= 2.5	Selectivity index is defined as the ratio of Ki value for m1 receptor / Ki value for m3 receptor	ChEMBL.	1560441
Selectivity ratio (binding)	= 4.6	Selectivity index is defined as the ratio of Ki value for m1 receptor / Ki value for M4 receptor	ChEMBL.	1560441
Selectivity ratio (binding)	= 5.9	Selectivity index is defined as the ratio of Ki value for m1 receptor / Ki value for M2 receptor	ChEMBL.	1560441

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: CHEMBL443780
PubChem: 214124

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 30496