Detailed information for compound 1586740

Basic information

Technical information
  • TDR Targets ID: 1586740
  • Name: methyl (4R,5S,6R)-1-(2-methoxyethyl)-6-methyl -2-oxo-4-[3-(trifluoromethyl)phenyl]-1,3-diaz inane-5-carboxylate
  • MW: 374.355 | Formula: C17H21F3N2O4
  • H donors: 1 H acceptors: 2 LogP: 1.88 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCN1C(=O)N[C@H]([C@@H]([C@H]1C)C(=O)OC)c1cccc(c1)C(F)(F)F
  • InChi: 1S/C17H21F3N2O4/c1-10-13(15(23)26-3)14(21-16(24)22(10)7-8-25-2)11-5-4-6-12(9-11)17(18,19)20/h4-6,9-10,13-14H,7-8H2,1-3H3,(H,21,24)/t10-,13-,14+/m1/s1
  • InChiKey: RSVJFSYTDHCFMC-HONMWMINSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl (4R,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]hexahydropyrimidine-5-carboxylate
  • (4R,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]-5-hexahydropyrimidinecarboxylic acid methyl ester
  • (4R,5S,6R)-2-keto-1-(2-methoxyethyl)-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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.016 0.0473
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0038 0.5
Schistosoma mansoni lamin 0.0033 0.0402 0.1657
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.5
Schistosoma mansoni smad1 5 8 and 0.0009 0.0064 0.0262
Loa Loa (eye worm) hypothetical protein 0.0015 0.0152 0.0677
Schistosoma mansoni intermediate filament proteins 0.0033 0.0402 0.1657
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.1827 0.8467
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0167 0.0501
Echinococcus granulosus intermediate filament protein 0.0033 0.0402 0.1489
Loa Loa (eye worm) histone methyltransferase 0.001 0.0076 0.0323
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0064 0.0067
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0064 0.0067
Echinococcus granulosus lamin dm0 0.0033 0.0402 0.1489
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.1827 0.8467
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0185 0.0247
Loa Loa (eye worm) Smad1 0.0009 0.0064 0.0268
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0581 0.2395
Brugia malayi MH1 domain containing protein 0.0009 0.0064 0.008
Echinococcus granulosus smad 0.0009 0.0064 0.0067
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0581 0.2674
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0185 0.0832
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0064 0.0067
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0038 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0192 0.2684 1
Echinococcus multilocularis lamin dm0 0.0033 0.0402 0.1489
Brugia malayi hypothetical protein 0.0155 0.2156 0.2968
Trichomonas vaginalis helicase, putative 0.0007 0.0038 0.5
Schistosoma mansoni cpg binding protein 0.0034 0.0416 0.1714
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0581 0.2395
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0167 0.0501
Brugia malayi Telomerase reverse transcriptase 0.051 0.7251 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0064 0.0268
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0074 0.0093
Brugia malayi isocitrate dehydrogenase 0.0016 0.0167 0.0222
Plasmodium falciparum telomerase reverse transcriptase 0.0192 0.2684 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0581 0.2242
Leishmania major telomerase reverse transcriptase, putative 0.0192 0.2684 1
Trypanosoma brucei telomerase reverse transcriptase 0.0192 0.2684 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0048 0.0197
Toxoplasma gondii RNA-directed DNA polymerase 0.0192 0.2684 1
Plasmodium vivax telomerase reverse transcriptase, putative 0.0192 0.2684 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0192 0.2684 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0167 0.0501
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.5
Echinococcus multilocularis lamin 0.0033 0.0402 0.1489
Schistosoma mansoni lamin 0.0033 0.0402 0.1657
Brugia malayi MH2 domain containing protein 0.0009 0.0064 0.008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0581 0.2242
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0038 0.5
Schistosoma mansoni hypothetical protein 0.0174 0.2426 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.09 0.371
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0038 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0581 0.2395
Schistosoma mansoni hypothetical protein 0.0174 0.2426 1
Echinococcus granulosus Smad4 0.0009 0.0064 0.0067
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.039 0.1785
Brugia malayi MH2 domain containing protein 0.0132 0.1827 0.2513
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0038 0.5
Brugia malayi CXXC zinc finger family protein 0.0032 0.039 0.053
Loa Loa (eye worm) hypothetical protein 0.0033 0.0402 0.1841
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0167 0.0501
Loa Loa (eye worm) hypothetical protein 0.0155 0.2156 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0581 0.2242
Schistosoma mansoni smad1 5 8 and 0.0009 0.0064 0.0262
Onchocerca volvulus 0.0155 0.2156 0.1838
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0064 0.0067
Echinococcus multilocularis cpg binding protein 0.0034 0.0416 0.1547
Brugia malayi intermediate filament protein 0.0033 0.0402 0.0546
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0402 0.0546
Schistosoma mansoni cpg binding protein 0.0032 0.039 0.1607
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0167 0.0749
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.5
Giardia lamblia Telomerase catalytic subunit 0.0192 0.2684 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.016 0.0717
Echinococcus granulosus cpg binding protein 0.0034 0.0416 0.1547
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.5
Onchocerca volvulus 0.0033 0.0402 0.0013
Schistosoma mansoni Smad4 0.0009 0.0064 0.0262
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.016 0.0473
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0167 0.0501
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0402 0.1841
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0064 0.0262
Echinococcus multilocularis Smad4 0.0009 0.0064 0.0067
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0038 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0167 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0581 0.0794
Echinococcus multilocularis musashi 0.0033 0.0402 0.1489
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0581 0.2242
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0167 0.0501
Echinococcus multilocularis geminin 0.0174 0.2426 1
Schistosoma mansoni smad 0.0009 0.0064 0.0262
Brugia malayi MH2 domain containing protein 0.0009 0.0064 0.008
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0038 0.5
Schistosoma mansoni cpg binding protein 0.0034 0.0416 0.1714
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.0797 0.2503
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0064 0.0268
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0076 0.0117
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0038 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0167 0.0688
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0167 0.0222
Brugia malayi MH1 domain containing protein 0.0009 0.0064 0.008
Loa Loa (eye worm) hypothetical protein 0.0015 0.0152 0.0677
Brugia malayi Smad1 0.0009 0.0064 0.008
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0402 0.1841
Echinococcus granulosus geminin 0.0174 0.2426 1
Echinococcus granulosus lamin 0.0033 0.0402 0.1489
Loa Loa (eye worm) hypothetical protein 0.0032 0.0393 0.1801
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.5
Onchocerca volvulus 0.0033 0.0402 0.0013
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0076 0.0117
Echinococcus multilocularis smad 0.0009 0.0064 0.0067
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0038 0.5
Schistosoma mansoni smad1 5 8 and 0.0009 0.0064 0.0262

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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

Bibliographic References

No literature references available for this target.

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