TDR Targets

Basic information

Technical information

TDR Targets ID: 1422216
Name: 2-diethylaminoethyl (2R)-2-cyclohexyl-2-pheny lacetate
MW: 317.466 | Formula: C20H31NO2
H donors: 0 H acceptors: 1 LogP: 5.26 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCN(CCOC(=O)[C@@H](c1ccccc1)C1CCCCC1)CC
InChi: 1S/C20H31NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3/t19-/m0/s1
InChiKey: AGJBLWCLQCKRJP-IBGZPJMESA-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 (2R)-2-cyclohexyl-2-phenyl-acetate
(2R)-2-cyclohexyl-2-phenylacetic acid 2-diethylaminoethyl ester
(2R)-2-cyclohexyl-2-phenyl-acetic acid 2-diethylaminoethyl ester
2-diethylaminoethyl (2R)-2-cyclohexyl-2-phenyl-ethanoate
CAS-548-66-3
NCGC00016503-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 1, subfamily A, polypeptide 2	Starlite/ChEMBL	No references
Homo sapiens	thyroid stimulating hormone receptor	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	No references
Bacillus anthracis	Anthrax lethal factor	Starlite/ChEMBL	No references
Homo sapiens	arachidonate 15-lipoxygenase, type B	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	arachidonate 5 lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Schistosoma mansoni	lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing	Get druggable targets OG5_127482	All targets in OG5_127482
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative	Get druggable targets OG5_127482	All targets in OG5_127482
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	arachidonate 5 lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Cytochrome P450 family protein	cytochrome P450, family 1, subfamily A, polypeptide 2	516 aa	470 aa	26.2 %
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Giardia lamblia	Hypothetical protein	0.0203	0.0119	0.146
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
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
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0203	0.0119	0.0119
Mycobacterium ulcerans	glycogen branching protein	0.0057	0.0022	0.5
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
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0203	0.0119	0.1599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Schistosoma mansoni	starch branching enzyme II	0.0057	0.0022	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0022	0.0325
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0595	0.0378	0.1055
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
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
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1056	0.0682	0.193
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
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
Entamoeba histolytica	hypothetical protein	0.0203	0.0119	0.1599
Brugia malayi	Raf kinase	0.0486	0.0306	0.4481
Entamoeba histolytica	protein kinase rad3, putative	0.0595	0.0378	0.5465
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.0039	0.0417
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0142	0.0078	0.0078
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
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1056	0.0682	0.0682
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0203	0.0119	0.1599
Echinococcus multilocularis	lamin	0.0033	0.0006	0.0006
Leishmania major	hypothetical protein, conserved	0.5503	0.3622	1
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	PIKK family atypical protein kinase	0.0203	0.0119	0.1599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0663	0.0423	0.6135
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	0.1056	0.0682	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0203	0.0119	0.0309
Trichomonas vaginalis	conserved hypothetical protein	0.046	0.0289	0.4133
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
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0203	0.0119	0.1599
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0392	0.0244	0.0668
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0203	0.0119	1
Echinococcus multilocularis	musashi	0.0033	0.0006	0.0006
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0203	0.0119	0.146
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0595	0.0378	0.5465
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0203	0.0119	0.0119
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0203	0.0119	0.0119
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	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
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
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
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	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0203	0.0119	0.1599
Onchocerca volvulus		0.0203	0.0119	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0203	0.0119	0.1738
Loa Loa (eye worm)	hypothetical protein	0.046	0.0289	0.423
Loa Loa (eye worm)	phosphatidylinositol 3	0.1056	0.0682	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Echinococcus granulosus	serine protein kinase ATM	0.0595	0.0378	0.0378
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0595	0.0378	0.1055
Echinococcus multilocularis	Zinc finger, PHD finger	0.0203	0.0119	0.0119
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1056	0.0682	0.0682
Entamoeba histolytica	hypothetical protein	0.0203	0.0119	0.1599
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0142	0.0078	0.0078
Brugia malayi	intermediate filament protein	0.0033	0.0006	0.0085
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
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
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0083	0.0039	0.0417
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0595	0.0378	0.5539
Brugia malayi	FAT domain containing protein	0.046	0.0289	0.423
Loa Loa (eye worm)	raf kinase	0.0501	0.0316	0.4627
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
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
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0083	0.0039	0.0039
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0083	0.0039	0.0417
Echinococcus granulosus	transcription factor btf3	0.0041	0.0011	0.0011
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0203	0.0119	0.1599
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0203	0.0119	0.0309
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0203	0.0119	0.0297
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
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
Entamoeba histolytica	hypothetical protein	0.0203	0.0119	0.1599
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1056	0.0682	0.1858
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
Echinococcus granulosus	raf serine:threonine protein kinase	0.0504	0.0317	0.0317
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0006	0.0085
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0203	0.0119	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0203	0.0119	0.1738
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0039	0.0575
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0392	0.0244	0.3463
Chlamydia trachomatis	1,4-alpha-glucan branching enzyme	0.0057	0.0022	0.5
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0083	0.0039	0.0039
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0203	0.0119	0.1738
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0203	0.0119	0.1599
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
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0083	0.0039	0.0417
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1056	0.0682	0.193
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
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
Schistosoma mansoni	hypothetical protein	0.046	0.0289	0.423
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0203	0.0119	0.0309
Trichomonas vaginalis	alpha-amylase, putative	0.0129	0.007	0.087
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0203	0.0119	0.0309
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
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0203	0.0119	0.1738
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0291	0.0177	0.2591
Loa Loa (eye worm)	hypothetical protein	0.0513	0.0324	0.4745
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Schistosoma mansoni	serine/threonine protein kinase	0.0504	0.0317	0.4651
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0203	0.0119	0.1599
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	PIKK family atypical protein kinase	0.0595	0.0378	0.5465
Echinococcus granulosus	lamin	0.0033	0.0006	0.0006
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
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1056	0.0682	1
Trichomonas vaginalis	alpha-amylase, putative	0.0129	0.007	0.087
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0203	0.0119	0.0119
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0203	0.0119	0.1599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0203	0.0119	0.1738
Loa Loa (eye worm)	hypothetical protein	0.0513	0.0324	0.4745
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0203	0.0119	0.1599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
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
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
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0203	0.0119	0.0119
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0203	0.0119	0.0119
Plasmodium vivax	hypothetical protein, conserved	0.0203	0.0119	1
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
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0203	0.0119	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0392	0.0244	0.3571
Entamoeba histolytica	1,4-alpha-glucan branching enzyme, putative	0.0057	0.0022	0.0163
Brugia malayi	1,4-alpha-glucan branching enzyme	0.0057	0.0022	0.0325
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
Trichomonas vaginalis	alpha-amylase, putative	0.0115	0.006	0.0731
Entamoeba histolytica	hypothetical protein	0.0595	0.0378	0.5465
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0504	0.0317	0.0317
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
Trichomonas vaginalis	starch branching enzyme II, putative	0.0057	0.0022	0.0163
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0203	0.0119	0.1599
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
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0005	0.0079
Trichomonas vaginalis	alpha-amylase, putative	0.0129	0.007	0.087
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
Trichomonas vaginalis	PIKK family atypical protein kinase	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
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	serine protein kinase ATM	0.0595	0.0378	0.0378
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
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	phosphatidylinositol 3-kinase, putative	0.0203	0.0119	0.1599
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1056	0.0682	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1056	0.0682	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0203	0.0119	0.1599
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1056	0.0682	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0006	0.0085
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
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
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0203	0.0119	0.1738
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	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
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
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0203	0.0119	0.1599
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1056	0.0682	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Plasmodium vivax	basic transcription factor 3b, putative	0.0041	0.0011	0.0948
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
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 3-related kinase, putative	0.1056	0.0682	0.1858
Schistosoma mansoni	transcription factor btf3	0.0041	0.0011	0.0165
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0083	0.0039	0.0081
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0203	0.0119	0.0297
Echinococcus multilocularis		0.0203	0.0119	0.0119
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0203	0.0119	0.1738
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1056	0.0682	0.1858
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	phosphatidylinositol 3-related kinase, putative	0.1056	0.0682	0.193
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0203	0.0119	0.1599
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0083	0.0039	0.0575
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
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
Onchocerca volvulus		0.0203	0.0119	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
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
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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1056	0.0682	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0006	0.0085
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
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1056	0.0682	0.193
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0083	0.0039	0.0575
Trichomonas vaginalis	phosphatidylinositol kinase, 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
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
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0203	0.0119	0.1599
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0203	0.0119	0.0309
Trichomonas vaginalis	amylase, putative	0.0129	0.007	0.087
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
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
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1056	0.0682	0.0682
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

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 0.630957344 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 1.258925412 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 3.16227766 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 1000000 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
Potency (functional)	= 0.2512 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (ADMET)	= 0.631 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (functional)	= 2.5119 um	PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (ADMET)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702]	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1560567

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1422216