TDR Targets

Basic information

Technical information

TDR Targets ID: 1246875
Name: [(3R)-3,5-dimethyl-6-oxo-2H-1,4-oxazin-3-yl]m ethyl (2R,4R)-4-(hydroxymethyl)-2,4-dimethyl- 1,3-oxazolidine-2-carboxylate
MW: 314.334 | Formula: C14H22N2O6
H donors: 2 H acceptors: 3 LogP: -1.09 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@]1(C)CO[C@](N1)(C)C(=O)OC[C@@]1(C)COC(=O)C(=N1)C
InChi: 1S/C14H22N2O6/c1-9-10(18)20-6-13(3,15-9)7-21-11(19)14(4)16-12(2,5-17)8-22-14/h16-17H,5-8H2,1-4H3/t12-,13-,14-/m1/s1
InChiKey: IVDWMMUHUNCHLW-MGPQQGTHSA-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

[(3R)-3,5-dimethyl-6-oxo-2H-1,4-oxazin-3-yl]methyl (2R,4R)-4-(hydroxymethyl)-2,4-dimethyl-oxazolidine-2-carboxylate
(2R,4R)-4-(hydroxymethyl)-2,4-dimethyl-2-oxazolidinecarboxylic acid [(3R)-3,5-dimethyl-6-oxo-2H-1,4-oxazin-3-yl]methyl ester
(2R,4R)-2,4-dimethyl-4-methylol-oxazolidine-2-carboxylic acid [(3R)-6-keto-3,5-dimethyl-2H-1,4-oxazin-3-yl]methyl ester
NCIStruc2_001167
NCI606535
NCGC00014920
NSC-606535
NCIStruc1_001817

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0094	0.3269
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0066	0.0079	0.0215
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0198	0.0361	0.0449
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.0095	0.0094
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0066	0.0079	0.0098
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0055	0.0054
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0198	0.0361	0.0361
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.0252	0.684
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0198	0.0361	0.1191
Entamoeba histolytica	hypothetical protein	0.0155	0.0269	0.7309
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1402	0.2939	0.2949
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0079	0.1803
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1385	0.2902	0.2902
Loa Loa (eye worm)	hypothetical protein	0.1385	0.2902	0.2913
Brugia malayi	MH2 domain containing protein	0.0521	0.1052	0.1051
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.0095	0.0094
Echinococcus multilocularis	tar DNA binding protein	0.0074	0.0095	0.0117
Brugia malayi	Temporarily assigned gene name protein 59	0.1385	0.2902	0.2902
Echinococcus granulosus	Smad4	0.0035	0.0013	0.0012
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0117	0.0188	0.4963
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0198	0.0361	1
Schistosoma mansoni	serine/threonine protein kinase	0.1402	0.2939	0.2938
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.0252	0.684
Schistosoma mansoni	microtubule-associated protein tau	0.3772	0.8009	0.8009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0198	0.0361	1
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.0095	0.0094
Loa Loa (eye worm)	transcription factor SMAD2	0.0521	0.1052	0.1055
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0107	0.0166	0.4327
Echinococcus granulosus	microtubule associated protein 2	0.3772	0.8009	0.8038
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.0252	0.684
Loa Loa (eye worm)	hypothetical protein	0.003	0.0001	0.0001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0107	0.0166	0.4327
Schistosoma mansoni	protein kinase	0.4702	1	1
Giardia lamblia	GTOR	0.0198	0.0361	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0079	0.1803
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0037	0.0018	0.0016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0128	0.0212	0.5673
Loa Loa (eye worm)	hypothetical protein	0.1385	0.2902	0.2913
Schistosoma mansoni	Smad4	0.0035	0.0013	0.0012
Brugia malayi	MH1 domain containing protein	0.0035	0.0013	0.0012
Brugia malayi	RNA binding protein	0.0074	0.0095	0.0094
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0158	0.0275	0.6934
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0094	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0018	0.0018
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0066	0.0079	0.0079
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0066	0.0079	0.0078
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0198	0.0361	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0066	0.0079	0.0215
Brugia malayi	TAR-binding protein	0.0074	0.0095	0.0094
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0094	0.0093
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0037	0.0018	0.002
Loa Loa (eye worm)	phosphatidylinositol 3	0.0066	0.0079	0.008
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0198	0.0361	0.1191
Schistosoma mansoni	smad1 5 8 and	0.0035	0.0013	0.0012
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0094	0.0528
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0037	0.0018	0.0016
Schistosoma mansoni	transcription factor LCR-F1	0.0155	0.0269	0.0267
Schistosoma mansoni	rap gtpase-activating protein	0.1385	0.2902	0.2902
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1402	0.2939	0.2949
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0035	0.0013	0.0012
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0066	0.0079	0.0215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0107	0.0166	0.4316
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0094	0.0094
Brugia malayi	MH2 domain containing protein	0.0035	0.0013	0.0012
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.3316	0.7035	0.7061
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0094	0.0116
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.0095	0.0094
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0118	0.0191	0.5037
Entamoeba histolytica	hypothetical protein	0.0155	0.0269	0.7309
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0094	0.0138	0.0417
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0037	0.0018	0.0016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0133	0.0222	0.594
Brugia malayi	MH2 domain containing protein	0.0035	0.0013	0.0012
Brugia malayi	RNA recognition motif domain containing protein	0.0074	0.0095	0.0094
Loa Loa (eye worm)	STE/STE20/KHS protein kinase	0.1402	0.2939	0.2949
Loa Loa (eye worm)	Smad1	0.0035	0.0013	0.0013
Loa Loa (eye worm)	MH2 domain-containing protein	0.0035	0.0013	0.0013
Loa Loa (eye worm)	phosphatidylinositol 3	0.0198	0.0361	0.0362
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0018	0.0017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0157	0.0274	0.7477
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0198	0.0361	0.1191
Loa Loa (eye worm)	RNA binding protein	0.0074	0.0095	0.0096
Echinococcus granulosus	mothers against decapentaplegic 5	0.0035	0.0013	0.0012
Echinococcus multilocularis	GTPase activating Rap:RanGAP domain 3	0.1385	0.2902	0.3623
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1402	0.2939	0.3668
Loa Loa (eye worm)	hypothetical protein	0.1385	0.2902	0.2913
Echinococcus granulosus	protein kinase	0.3316	0.7035	0.706
Loa Loa (eye worm)	hypothetical protein	0.0109	0.017	0.0171
Echinococcus multilocularis	serine protein kinase ATM	0.0037	0.0018	0.002
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.0095	0.0094
Echinococcus multilocularis	smad	0.0035	0.0013	0.0015
Trypanosoma cruzi	target of rapamycin kinase 3	0.0158	0.0275	0.0891
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0074	0.0095	0.0096
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0107	0.0166	0.4327
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0198	0.0361	0.036
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0118	0.0191	0.5037
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1385	0.2902	0.2902
Schistosoma mansoni	hypothetical protein	0.0155	0.0269	0.0267
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0094	0.5
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1385	0.2902	1
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1385	0.2902	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.0252	0.684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0169	0.0299	0.8197
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0158	0.0275	0.0891
Echinococcus multilocularis	Smad4	0.0035	0.0013	0.0015
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0155	0.0269	0.0268
Entamoeba histolytica	hypothetical protein	0.0155	0.0269	0.7309
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0107	0.0166	0.4316
Schistosoma mansoni	serine/threonine protein kinase	0.1402	0.2939	0.2938
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0094	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0157	0.0274	0.7477
Echinococcus multilocularis	microtubule associated protein 2	0.3772	0.8009	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0055	0.0055
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0157	0.0274	0.7477
Echinococcus granulosus	serine protein kinase ATM	0.0037	0.0018	0.0016
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0198	0.0361	0.036
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0001	0.0001
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0055	0.0054
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0035	0.0013	0.0015
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.1402	0.2939	0.2949
Schistosoma mansoni	hypothetical protein	0.1385	0.2902	0.2902
Entamoeba histolytica	hypothetical protein	0.0155	0.0269	0.7309
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0107	0.0166	0.4316
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0042	0.0027	0.039
Brugia malayi	Smad1	0.0035	0.0013	0.0012
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0155	0.0269	0.0334
Schistosoma mansoni	protein kinase	0.1402	0.2939	0.2938
Schistosoma mansoni	smad	0.0035	0.0013	0.0012
Echinococcus granulosus	tar DNA binding protein	0.0074	0.0095	0.0094
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0066	0.0079	0.0215
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0037	0.0018	0.0016
Loa Loa (eye worm)	MH1 domain-containing protein	0.0035	0.0013	0.0013
Echinococcus multilocularis		0.3316	0.7035	0.8784
Schistosoma mansoni	vam6/vps39 related	0.1385	0.2902	0.2902
Schistosoma mansoni	smad1 5 8 and	0.0035	0.0013	0.0012
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0198	0.0361	1
Schistosoma mansoni	cellular tumor antigen P53	0.0109	0.017	0.0169
Brugia malayi	hypothetical protein	0.0155	0.0269	0.0267
Loa Loa (eye worm)	TAR-binding protein	0.0074	0.0095	0.0096
Echinococcus granulosus	smad	0.0035	0.0013	0.0012
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0066	0.0079	0.0078
Loa Loa (eye worm)	MH2 domain-containing protein	0.0521	0.1052	0.1055
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0198	0.0361	1
Brugia malayi	Protein kinase domain containing protein	0.1402	0.2939	0.2938
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0118	0.0191	0.5037
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0001	0.0001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0157	0.0274	0.7477
Loa Loa (eye worm)	hypothetical protein	0.004	0.0024	0.0024
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0027	0.0266
Brugia malayi	hypothetical protein	0.1385	0.2902	0.2902
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0147	0.0252	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0157	0.0274	0.7477
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0035	0.0013	0.0012
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.0252	0.684
Echinococcus granulosus	Vam6:Vps39 protein	0.1385	0.2902	0.2912
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.1402	0.2939	0.3668
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0198	0.0361	0.1191
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0079	0.1803
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0094	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.0252	0.684
Schistosoma mansoni	hypothetical protein	0.0038	0.0018	0.0017
Echinococcus granulosus	tumor protein p63	0.0744	0.153	0.1534
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0094	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0055	0.0055
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0082	0.0113	0.0332
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0198	0.0361	1
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0037	0.0018	0.0016
Onchocerca volvulus		0.0109	0.017	0.0584
Schistosoma mansoni	smad1 5 8 and	0.0035	0.0013	0.0012
Schistosoma mansoni	protein kinase	0.3316	0.7035	0.7035
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1402	0.2939	0.3668
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0198	0.0361	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.4685	0.9964	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0035	0.0013	0.0015
Trypanosoma brucei	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1385	0.2902	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0117	0.0188	0.4963
Echinococcus granulosus	GTPase activating Rap:RanGAP domain 3	0.1385	0.2902	0.2912
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0079	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0147	0.0252	0.684
Onchocerca volvulus		0.1385	0.2902	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0051	0.0976
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.4685	0.9964	1
Brugia malayi	MH1 domain containing protein	0.0035	0.0013	0.0012
Echinococcus multilocularis	tumor protein p63	0.0744	0.153	0.1909
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0018	0.0018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0107	0.0166	0.4327
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0066	0.0079	0.1803

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)		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)		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)		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
AC50 (functional)		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
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	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: CHEMBL1327763

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1246875