TDR Targets

Basic information

Technical information

TDR Targets ID: 1149528
Name: [3-(dimethylcarbamoyloxy)-1-methylpyridin-1-i um-2-yl]methyl 2,2-di(phenyl)propanoate
MW: 419.493 | Formula: C25H27N2O4+
H donors: 0 H acceptors: 2 LogP: 4.12 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N(C)C)Oc1ccc[n+](c1COC(=O)C(c1ccccc1)(c1ccccc1)C)C
InChi: 1S/C25H27N2O4/c1-25(19-12-7-5-8-13-19,20-14-9-6-10-15-20)23(28)30-18-21-22(16-11-17-27(21)4)31-24(29)26(2)3/h5-17H,18H2,1-4H3/q+1
InChiKey: WHIMEOMPXHBKBV-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

[3-(dimethylcarbamoyloxy)-1-methyl-pyridin-1-ium-2-yl]methyl 2,2-di(phenyl)propanoate
2,2-di(phenyl)propanoic acid [3-(dimethylamino-oxomethoxy)-1-methyl-2-pyridin-1-iumyl]methyl ester
2,2-di(phenyl)propionic acid [3-(dimethylcarbamoyloxy)-1-methyl-pyridin-1-ium-2-yl]methyl ester

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	DNA polymerase kappa, putative	0.0027	0.0023	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1014	0.1014
Echinococcus multilocularis	expressed protein	0.0033	0.0088	0.0088
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0039	0.015	0.0979
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.019	0.174	0.174
Echinococcus multilocularis	neuropeptide s receptor	0.0457	0.4546	0.4546
Schistosoma mansoni	hypothetical protein	0.0049	0.0257	0.0257
Brugia malayi	Sodium/calcium exchanger protein	0.039	0.3845	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.017	0.1534	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0216	0.0216
Echinococcus granulosus	flap endonuclease 1	0.0026	0.0012	0.0012
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0153	0.1352	0.4278
Entamoeba histolytica	hypothetical protein	0.0039	0.0146	0.9749
Brugia malayi	RNA binding protein	0.0133	0.114	0.2964
Brugia malayi	MH2 domain containing protein	0.0118	0.0981	0.2553
Echinococcus multilocularis	flap endonuclease 1	0.0026	0.0012	0.0012
Brugia malayi	Flap endonuclease-1	0.0026	0.0012	0.003
Loa Loa (eye worm)	hypothetical protein	0.039	0.3845	0.3845
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0039	0.015	0.015
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0049	0.0257	0.0257
Trichomonas vaginalis	rotamase, putative	0.0033	0.0088	0.0568
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0088	0.0568
Echinococcus granulosus	GPCR family 2	0.0049	0.0257	0.0257
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.015	0.0442
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0216	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0694	0.0694
Echinococcus granulosus	neuropeptide receptor A26	0.0457	0.4546	0.4546
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0039	0.015	0.015
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.015	0.0442
Loa Loa (eye worm)	flap endonuclease-1	0.0026	0.0012	0.0012
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0216	0.0216
Trypanosoma brucei	DNA polymerase kappa, putative	0.0027	0.0023	0.0037
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0146	0.0146
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.019	0.174	1
Schistosoma mansoni	hypothetical protein	0.0285	0.2734	0.2734
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.015	0.0442
Trypanosoma brucei	unspecified product	0.0027	0.0023	0.0037
Echinococcus granulosus	expressed protein	0.0033	0.0088	0.0088
Brugia malayi	latrophilin 2 splice variant baaae	0.0106	0.0855	0.2224
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.114	0.114
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0146	0.0146
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.015	0.0442
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0038	0.0143	0.0824
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0216	0.0216
Loa Loa (eye worm)	TAR-binding protein	0.0133	0.114	0.114
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0039	0.015	0.0979
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0039	0.015	0.015
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0033	0.0088	0.0088
Brugia malayi	ImpB/MucB/SamB family protein	0.0039	0.015	0.0391
Trypanosoma brucei	DNA polymerase IV, putative	0.0039	0.015	0.0442
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.015	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1014	0.1014
Toxoplasma gondii	peptidylprolyl isomerase	0.0032	0.008	0.0459
Schistosoma mansoni	hypothetical protein	0.0049	0.0257	0.0257
Leishmania major	DNA polymerase eta, putative	0.0038	0.0143	0.0421
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.019	0.174	0.174
Entamoeba histolytica	Flap nuclease, putative	0.0026	0.0012	0.0773
Schistosoma mansoni	sodium/calcium exchanger	0.0976	1	1
Echinococcus granulosus	tar DNA binding protein	0.0133	0.114	0.114
Schistosoma mansoni	hypothetical protein	0.0039	0.0146	0.0146
Brugia malayi	Latrophilin receptor protein 2	0.0049	0.0257	0.0668
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0046	0.022	0.0664
Loa Loa (eye worm)	hypothetical protein	0.0155	0.1371	0.1371
Schistosoma mansoni	hypothetical protein	0.0049	0.0257	0.0257
Schistosoma mansoni	microtubule-associated protein tau	0.0682	0.6911	0.6911
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.015	0.0442
Echinococcus granulosus	microtubule associated protein 2	0.0682	0.6911	0.6911
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.114	0.114
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.019	0.174	0.174
Brugia malayi	ImpB/MucB/SamB family protein	0.0065	0.0426	0.1107
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0049	0.0257	0.0257
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0133	0.114	0.114
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0167	0.1496	0.1496
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0026	0.0012	0.0067
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0216	0.0563
Loa Loa (eye worm)	hypothetical protein	0.019	0.174	0.174
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.019	0.174	0.174
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0155	0.1371	0.3565
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.015	0.0442
Leishmania major	mitochondrial DNA polymerase beta	0.0324	0.3144	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.015	0.0442
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0153	0.1352	0.4278
Trypanosoma brucei	DNA polymerase eta, putative	0.0065	0.0426	0.1322
Echinococcus multilocularis	dna polymerase eta	0.0065	0.0426	0.0426
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.015	0.0442
Brugia malayi	RNA recognition motif domain containing protein	0.0133	0.114	0.2964
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.015	0.0442
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0039	0.015	0.015
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.015	0.0442
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0216	0.0216
Loa Loa (eye worm)	RNA binding protein	0.0133	0.114	0.114
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0039	0.015	0.015
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0046	0.022	0.0664
Entamoeba histolytica	hypothetical protein	0.0039	0.0146	0.9749
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0167	0.1496	0.1496
Echinococcus multilocularis	dna polymerase kappa	0.0039	0.015	0.015
Echinococcus multilocularis	sodium calcium exchanger	0.0976	1	1
Plasmodium falciparum	flap endonuclease 1	0.0026	0.0012	1
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0167	0.1496	0.1496
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0146	0.0146
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0055	0.0324	0.0998
Schistosoma mansoni	hypothetical protein	0.0185	0.1688	0.1688
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0172	0.1551	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0257	0.0257
Loa Loa (eye worm)	solute carrier family 8	0.0976	1	1
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0032	0.008	0.532
Echinococcus multilocularis	tar DNA binding protein	0.0133	0.114	0.114
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.015	0.0442
Echinococcus granulosus	X box binding protein 1	0.0285	0.2734	0.2734
Echinococcus multilocularis	neuropeptide receptor A26	0.0457	0.4546	0.4546
Echinococcus multilocularis	GPCR, family 2	0.0049	0.0257	0.0257
Trypanosoma brucei	DNA polymerase kappa, putative	0.0027	0.0023	0.0037
Brugia malayi	TAR-binding protein	0.0133	0.114	0.2964
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0216	0.0216
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0033	0.0088	0.0229
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.015	0.0442
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0039	0.015	0.0969
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0155	0.1371	0.3565
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0049	0.0257	0.0668
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.015	0.0442
Entamoeba histolytica	hypothetical protein	0.0039	0.0146	0.9749
Echinococcus granulosus	dna polymerase kappa	0.0039	0.015	0.015
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.019	0.174	1
Echinococcus multilocularis	X box binding protein 1	0.0285	0.2734	0.2734
Onchocerca volvulus	Huntingtin homolog	0.0121	0.1014	1
Schistosoma mansoni	DNA polymerase eta	0.0065	0.0426	0.0426
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.0981	0.0981
Trichomonas vaginalis	flap endonuclease-1, putative	0.0026	0.0012	0.0075
Toxoplasma gondii	hypothetical protein	0.0052	0.029	0.1666
Schistosoma mansoni	hypothetical protein	0.0185	0.1688	0.1688
Entamoeba histolytica	hypothetical protein	0.0039	0.0146	0.9749
Giardia lamblia	DINP protein human, muc B family	0.0039	0.015	0.0802
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0855	0.0855
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0049	0.0257	0.0257
Treponema pallidum	hypothetical protein	0.0025	0	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0155	0.1371	0.1371
Trypanosoma brucei	unspecified product	0.0039	0.015	0.0442
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.114	0.114
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0324	0.3144	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0032	0.008	0.0218
Schistosoma mansoni	hypothetical protein	0.0049	0.0257	0.0257
Brugia malayi	hypothetical protein	0.0091	0.0694	0.1804
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0216	0.0216
Echinococcus granulosus	neuropeptide s receptor	0.0457	0.4546	0.4546
Trypanosoma brucei	unspecified product	0.0027	0.0023	0.0037
Schistosoma mansoni	rotamase	0.0033	0.0088	0.0088
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0032	0.008	0.0218
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0172	0.1551	1
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.114	0.114
Trichomonas vaginalis	DNA polymerase eta, putative	0.0039	0.015	0.0969
Brugia malayi	hypothetical protein	0.0039	0.0146	0.0381
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.019	0.174	0.174
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0032	0.008	0.0218
Leishmania major	DNA polymerase eta, putative	0.0065	0.0426	0.1322
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0046	0.022	0.0664
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.015	0.0442
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0032	0.008	0.0218
Echinococcus granulosus	geminin	0.0185	0.1688	0.1688
Schistosoma mansoni	eyes absent homolog	0.0091	0.0694	0.0694
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0324	0.3144	1
Trichomonas vaginalis	rotamase, putative	0.0032	0.008	0.0515
Leishmania major	DNA polymerase kappa, putative	0.0039	0.015	0.0442
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0153	0.1352	0.4278
Mycobacterium leprae	Probable ionic transporter integral membrane protein ChaA	0.0025	0	0.5
Trypanosoma cruzi	DNA polymerase eta, putative	0.0038	0.0143	0.0421
Schistosoma mansoni	hypothetical protein	0.0106	0.0855	0.0855
Echinococcus multilocularis	microtubule associated protein 2	0.0682	0.6911	0.6911
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.0981	0.0981
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0039	0.015	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0039	0.015	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0694	0.0694
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0049	0.0257	0.0257
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0324	0.3144	1
Brugia malayi	hypothetical protein	0.0121	0.1014	0.2637
Plasmodium vivax	flap endonuclease 1, putative	0.0026	0.0012	1
Echinococcus granulosus	dna polymerase eta	0.0065	0.0426	0.0426
Onchocerca volvulus	Huntingtin homolog	0.0121	0.1014	1
Mycobacterium ulcerans	hypothetical protein	0.017	0.1534	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0065	0.0426	0.1322
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0167	0.1496	0.3892
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0049	0.0257	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0426	0.0426
Echinococcus multilocularis	geminin	0.0185	0.1688	0.1688
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0039	0.015	0.0442
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0216	0.0216
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0046	0.022	0.0664
Schistosoma mansoni	tar DNA-binding protein	0.0133	0.114	0.114

Activities

No activities found for this compound.

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: CHEMBL1185972

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1149528