Detailed information for compound 649696

Basic information

Technical information
  • TDR Targets ID: 649696
  • Name: 1-(4-methoxyphenyl)-5-[(5-methylthiophen-2-yl )methylidene]-1,3-diazinane-2,4,6-trione
  • MW: 342.369 | Formula: C17H14N2O4S
  • H donors: 1 H acceptors: 3 LogP: 2.79 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(s2)C)C1=O
  • InChi: 1S/C17H14N2O4S/c1-10-3-8-13(24-10)9-14-15(20)18-17(22)19(16(14)21)11-4-6-12(23-2)7-5-11/h3-9H,1-2H3,(H,18,20,22)/b14-9+
  • InChiKey: JUBIVLJMMPRADV-NTEUORMPSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5E)-1-(4-methoxyphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
  • 1-(4-methoxyphenyl)-5-[(5-methyl-2-thienyl)methylene]hexahydropyrimidine-2,4,6-trione
  • (5E)-1-(4-methoxyphenyl)-5-[(5-methyl-2-thienyl)methylene]hexahydropyrimidine-2,4,6-trione
  • 1-(4-methoxyphenyl)-5-[(5-methyl-2-thienyl)methylene]barbituric acid
  • (5E)-1-(4-methoxyphenyl)-5-[(5-methyl-2-thienyl)methylene]barbituric acid
  • ZINC02847488

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
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0063 0.309 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0034 0.1077 0.1077
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0945 0.0945
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.5511 0.5511
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.5511 0.5511
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.083 0.083
Schistosoma mansoni hypothetical protein 0.0031 0.083 0.083
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.1893 0.1893
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.083 0.1506
Brugia malayi Inositol-1 0.0036 0.1221 0.1221
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0046 0.1893 0.1893
Brugia malayi AMP-binding enzyme family protein 0.0046 0.1893 0.1893
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1221 0.3953
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0945 0.0945
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0162 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.1077 0.1954
Loa Loa (eye worm) hypothetical protein 0.0046 0.1893 0.3436
Leishmania major dihydroorotate dehydrogenase 0.0162 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0046 0.1893 0.1893
Schistosoma mansoni dihydroorotate dehydrogenase 0.0162 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0063 0.309 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0162 1 1
Echinococcus granulosus GPCR family 2 0.0031 0.083 0.2686
Schistosoma mansoni eyes absent homolog 0.0085 0.4639 0.4639
Schistosoma mansoni inositol monophosphatase 0.0036 0.1221 0.1221
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0162 1 1
Schistosoma mansoni hypothetical protein 0.0067 0.3344 0.3344
Brugia malayi AMP-binding enzyme family protein 0.0046 0.1893 0.1893
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.3344 0.3344
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1221 0.3953
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1221 0.1221
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0162 1 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0162 1 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1221 0.1221
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.083 0.2686
Loa Loa (eye worm) hypothetical protein 0.0031 0.083 0.1506
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.1221 0.3953
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.1893 0.1893
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0063 0.309 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.1893 0.1039
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.5511 1
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0162 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.1893 0.3436
Giardia lamblia DINP protein human, muc B family 0.0019 0 0.5
Brugia malayi hypothetical protein 0.0085 0.4639 0.4639
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0034 0.1077 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0046 0.1893 0.1893
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0063 0.309 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.1893 0.1039
Loa Loa (eye worm) hypothetical protein 0.0034 0.1077 0.1954
Loa Loa (eye worm) hypothetical protein 0.0034 0.1077 0.1954
Onchocerca volvulus 0.0046 0.1893 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.1893 0.1893
Loa Loa (eye worm) hypothetical protein 0.0067 0.3344 0.6069
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0063 0.309 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0034 0.1077 0.1077
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0162 1 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.5511 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0063 0.309 0.309
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0162 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0063 0.309 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0046 0.1893 0.6127
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0046 0.1893 0.1893
Loa Loa (eye worm) inositol-1 0.0036 0.1221 0.2217
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1221 0.1221
Loa Loa (eye worm) hypothetical protein 0.0046 0.1893 0.3436
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0063 0.309 1
Echinococcus multilocularis GPCR, family 2 0.0031 0.083 0.2686
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0162 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0063 0.309 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0945 0.0945
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0162 1 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0162 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.1893 0.1893
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.1893 0.6127
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0063 0.309 1
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.1221 0.3953
Schistosoma mansoni hypothetical protein 0.0031 0.083 0.083
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.083 0.2686
Mycobacterium ulcerans hypothetical protein 0.0046 0.1893 0.1893
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.1221 0.1221
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1221 0.1221
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0953 0.0953
Brugia malayi Latrophilin receptor protein 2 0.0031 0.083 0.083
Loa Loa (eye worm) hypothetical protein 0.0034 0.1077 0.1954
Schistosoma mansoni inositol monophosphatase 0.0036 0.1221 0.1221
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.1893 0.1893
Brugia malayi Zinc finger, C2H2 type family protein 0.0063 0.309 0.309
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.1893 0.6127
Loa Loa (eye worm) hypothetical protein 0.0085 0.4639 0.8418
Schistosoma mansoni hypothetical protein 0.0031 0.083 0.083
Loa Loa (eye worm) hypothetical protein 0.0034 0.1077 0.1954
Plasmodium falciparum dihydroorotate dehydrogenase 0.0162 1 1
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0063 0.309 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.083 0.2686
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.1221 0.3953
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0046 0.1893 0.1893
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0046 0.1893 0.1893
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0945 0.0945
Brugia malayi AMP-binding enzyme family protein 0.0046 0.1893 0.1893
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.1221 0.3953
Schistosoma mansoni hypothetical protein 0.0031 0.083 0.083
Loa Loa (eye worm) hypothetical protein 0.0085 0.4639 0.8418
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0063 0.309 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.1893 0.1893
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.083 0.2686

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

Bibliographic References

No literature references available for this target.

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