TDR Targets

Basic information

Technical information

TDR Targets ID: 1543151
Name: methyl (4R,5R,6R)-1-ethyl-6-methyl-2-oxo-4-[3 -(trifluoromethyl)phenyl]-1,3-diazinane-5-car boxylate
MW: 344.329 | Formula: C16H19F3N2O3
H donors: 1 H acceptors: 2 LogP: 2.4 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCN1C(=O)N[C@H]([C@H]([C@H]1C)C(=O)OC)c1cccc(c1)C(F)(F)F
InChi: 1S/C16H19F3N2O3/c1-4-21-9(2)12(14(22)24-3)13(20-15(21)23)10-6-5-7-11(8-10)16(17,18)19/h5-9,12-13H,4H2,1-3H3,(H,20,23)/t9-,12+,13+/m1/s1
InChiKey: BBVMYESZGOBBFS-ICCXJUOJSA-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

methyl (4R,5R,6R)-1-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]hexahydropyrimidine-5-carboxylate
(4R,5R,6R)-1-ethyl-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-5-hexahydropyrimidinecarboxylic acid methyl ester
(4R,5R,6R)-1-ethyl-2-keto-6-methyl-4-[3-(trifluoromethyl)phenyl]hexahydropyrimidine-5-carboxylic acid 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
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0021	0.0014
Brugia malayi	beta-lactamase family protein	0.0035	0.0021	0.0046
Onchocerca volvulus		0.0097	0.1006	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0017	0.0037
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0021	0.5
Entamoeba histolytica	hypothetical protein	0.007	0.0586	1
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.0204	0.045
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.007	0.0586	0.0566
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0046	0.0204	0.2714
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0021	0.0046
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0021	0.5
Schistosoma mansoni	peptidase Clp (S14 family)	0.0077	0.0694	0.2956
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0694	1
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0021	0.0046
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0021	0.5
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0051	0.027	0.3703
Brugia malayi	beta-lactamase family protein	0.0035	0.0021	0.0046
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0021	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0204	0.045
Mycobacterium ulcerans	lipase LipD	0.0035	0.0021	0.0064
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0021	0.0089
Entamoeba histolytica	hypothetical protein	0.007	0.0586	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0021	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0204	0.045
Echinococcus multilocularis	tumor protein p63	0.0661	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.007	0.0586	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0021	0.0046
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0046	0.0204	0.0622
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0046	0.0204	0.2761
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0021	0.0014
Echinococcus granulosus	peptidase Clp S14 family	0.0051	0.027	0.025
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0021	0.0014
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0077	0.0694	0.0674
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0077	0.0694	0.0674
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0051	0.027	0.0843
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0694	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.0204	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0017	0.0037
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0046	0.0204	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1006	0.2227
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0248	0.0549
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0694	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.0694	0.2892
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0248	0.0549
Schistosoma mansoni	cellular tumor antigen P53	0.0097	0.1006	0.4289
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.0204	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.0204	1
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.0204	0.045
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0051	0.027	0.0843
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0021	0.0046
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.0204	0.2761
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0021	0.0089
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.3021	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0021	0.0014
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0021	0.0014
Entamoeba histolytica	hypothetical protein	0.007	0.0586	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0021	0.5
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0046	0.0204	0.2761
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0021	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0204	0.045
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0021	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.0204	0.2761
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0694	1
Schistosoma mansoni	hypothetical protein	0.0181	0.2347	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0694	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0021	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0017	0.0037
Onchocerca volvulus		0.0046	0.0204	0.1853
Schistosoma mansoni	hypothetical protein	0.0136	0.1637	0.6978
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0694	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.0694	0.2892
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0021	0.0014
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0021	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0021	0.0046
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0077	0.0694	1
Brugia malayi	beta-lactamase	0.0035	0.0021	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0017	0.0037
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0051	0.027	0.025
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0021	0.0064
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0046	0.0204	0.2761
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0021	0.0014
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.0204	0.2761
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0021	0.5
Schistosoma mansoni	hypothetical protein	0.007	0.0586	0.2498
Entamoeba histolytica	hypothetical protein	0.007	0.0586	1
Brugia malayi	Probable ClpP-like protease	0.0077	0.0694	0.1535
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0021	0.0046
Brugia malayi	Hypothetical WD-repeat protein F35G12.4 in chromosome III	0.0317	0.452	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0021	0.0046
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0021	0.0014
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0248	0.0549
Schistosoma mansoni	transcription factor LCR-F1	0.007	0.0586	0.2498
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0021	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0248	0.0549
Echinococcus granulosus	WD repeat containing protein 48	0.0317	0.452	0.4508
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0021	0.0014
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0046	0.0204	0.2714
Brugia malayi	hypothetical protein	0.007	0.0586	0.1297
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0017	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0694	0.1535
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0021	0.0046
Schistosoma mansoni	hypothetical protein	0.0136	0.1637	0.6978
Trichomonas vaginalis	esterase, putative	0.0035	0.0021	0.5
Mycobacterium ulcerans	hypothetical protein	0.0046	0.0204	0.2761
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0021	0.0064
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0077	0.0694	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0694	1
Loa Loa (eye worm)	hypothetical protein	0.0317	0.452	1
Toxoplasma gondii	hypothetical protein	0.0181	0.2347	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0046	0.0204	0.2761
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.0204	0.045
Echinococcus multilocularis	WD repeat containing protein 48	0.0317	0.452	0.4508
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0021	0.0064

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: CHEMBL1731312

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1543151