Detailed information for compound 588630

Basic information

Technical information
  • TDR Targets ID: 588630
  • Name: 2,4(1H,3H)-Pyrimidinedione, 5-((5-(4-bromophe nyl)-3,6-dihydro-6-hydroxy-2H-1,3,4-oxadiazin -2-ylidene)methyl)-
  • MW: 379.166 | Formula: C14H11BrN4O4
  • H donors: 4 H acceptors: 3 LogP: 1.31 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)C1=NNC(=Cc2c[nH]c(=O)[nH]c2=O)OC1O
  • InChi: 1S/C14H11BrN4O4/c15-9-3-1-7(2-4-9)11-13(21)23-10(18-19-11)5-8-6-16-14(22)17-12(8)20/h1-6,13,18,21H,(H2,16,17,20,22)/b10-5+
  • InChiKey: RGPBQGGBWIMGMA-BJMVGYQFSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-Uracilmethylene)-5-(4-bromophenyl)-6-hydroxy-2,3-dihydro-(6H)-1,3,4-oxadiazine
  • 5-((5-(4-Bromophenyl)-3,6-dihydro-6-hydroxy-2H-1,3,4-oxadiazin-2-ylidene)methyl)-2,4(1H,3H)-pyrimidinedione
  • 5-[(E)-[5-(4-bromophenyl)-6-hydroxy-3,6-dihydro-1,3,4-oxadiazin-2-ylidene]methyl]-1H-pyrimidine-2,4-dione
  • 5-[(E)-[5-(4-bromophenyl)-6-hydroxy-3,6-dihydro-1,3,4-oxadiazin-2-ylidene]methyl]uracil
  • 92353-97-4
  • Compound C 6
  • oxadin

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
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0271 0.9273
Loa Loa (eye worm) hypothetical protein 0.0248 0.2863 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.1744 0.6089
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0132 0.0342
Echinococcus multilocularis geminin 0.0175 0.1974 0.1971
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0146 0.4988
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0292 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0172 0.1927 0.1924
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0392 0.0388
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0609 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0271 0.0267
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0045 0.0168
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0271 0.0872
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0132 0.0497
Mycobacterium ulcerans beta-lactamase 0.0036 0.0271 0.3904
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0132 0.1394
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0609 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0146 0.051
Leishmania major hypothetical protein, conserved 0.0026 0.0146 0.2395
Loa Loa (eye worm) hypothetical protein 0.0019 0.0055 0.0191
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0157 0.1744 0.6089
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.0292 1
Brugia malayi hypothetical protein 0.0017 0.0033 0.0123
Loa Loa (eye worm) hypothetical protein 0.0019 0.0055 0.0191
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0271 0.0267
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0271 0.0947
Toxoplasma gondii hypothetical protein 0.0248 0.2863 1
Trypanosoma brucei glucosidase, putative 0.0038 0.0292 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0132 0.0342
Schistosoma mansoni hypothetical protein 0.0175 0.1974 0.1971
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0248 0.2863 1
Schistosoma mansoni hypothetical protein 0.0831 1 1
Schistosoma mansoni hypothetical protein 0.005 0.0433 0.0429
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0132 0.2168
Schistosoma mansoni microtubule-associated protein tau 0.0778 0.9351 0.9351
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0271 0.9273
Mycobacterium tuberculosis Conserved protein 0.0036 0.0271 0.0872
Onchocerca volvulus 0.0058 0.0541 0.392
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0146 0.4988
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0132 0.2168
Brugia malayi hypothetical protein 0.0127 0.1379 0.5187
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0392 0.1472
Echinococcus multilocularis microtubule associated protein 2 0.0778 0.9351 0.9351
Brugia malayi Glycosyl hydrolases family 31 protein 0.0172 0.1927 0.7245
Onchocerca volvulus Huntingtin homolog 0.0127 0.1379 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0292 1
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0609 0.1705
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0124 0.1342 0.1338
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0609 0.0606
Echinococcus granulosus microtubule associated protein 2 0.0778 0.9351 0.9351
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0292 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0132 0.4515
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0292 0.0289
Schistosoma mansoni hypothetical protein 0.005 0.0433 0.0429
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0609 0.0606
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0292 0.1021
Schistosoma mansoni survival motor neuron protein 0.0047 0.0404 0.0401
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0132 0.4515
Loa Loa (eye worm) hypothetical protein 0.0019 0.0055 0.0191
Loa Loa (eye worm) hypothetical protein 0.0036 0.0271 0.0947
Schistosoma mansoni alpha-glucosidase 0.0148 0.1634 0.1631
Loa Loa (eye worm) hypothetical protein 0.0036 0.0271 0.0947
Loa Loa (eye worm) hypothetical protein 0.0025 0.0132 0.0461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0392 0.0388
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0292 0.4801
Loa Loa (eye worm) hypothetical protein 0.0036 0.0271 0.0947
Loa Loa (eye worm) hypothetical protein 0.0127 0.1379 0.4817
Echinococcus granulosus GPCR family 2 0.005 0.0433 0.0429
Onchocerca volvulus 0.0047 0.0404 0.2931
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0271 0.3904
Brugia malayi hypothetical protein 0.0026 0.0146 0.0549
Brugia malayi beta-lactamase family protein 0.0036 0.0271 0.102
Mycobacterium ulcerans lipase LipD 0.0036 0.0271 0.3904
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.005 0.0433 0.0429
Schistosoma mansoni hypothetical protein 0.005 0.0433 0.0429
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.005 0.0433 0.0429
Brugia malayi CXXC zinc finger family protein 0.0058 0.0541 0.2033
Leishmania major hypothetical protein, conserved 0.0036 0.0271 0.4452
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0271 0.102
Loa Loa (eye worm) hypothetical protein 0.0248 0.2863 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0271 0.0872
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0132 0.1394
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0271 0.9273
Loa Loa (eye worm) CXXC zinc finger family protein 0.0058 0.0541 0.1888
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0146 0.4988
Echinococcus multilocularis dnaJ subfamily B 0.0831 1 1
Schistosoma mansoni hypothetical protein 0.0107 0.1137 0.1134
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.005 0.0433 0.0429
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0172 0.1927 0.6729
Mycobacterium tuberculosis Conserved protein 0.0036 0.0271 0.0872
Echinococcus granulosus lysosomal alpha glucosidase 0.0172 0.1927 0.1924
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0609 0.0606
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.005 0.0433 0.0429
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0609 0.2159
Echinococcus multilocularis lysosomal alpha glucosidase 0.0172 0.1927 0.1924
Echinococcus multilocularis GPCR, family 2 0.005 0.0433 0.0429
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0609 0.0606
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0132 0.2168
Echinococcus granulosus geminin 0.0175 0.1974 0.1971
Mycobacterium tuberculosis Conserved protein 0.0036 0.0271 0.0872
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0292 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0392 0.0388
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.0292 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0146 0.421
Brugia malayi beta-lactamase family protein 0.0036 0.0271 0.102
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.005 0.0433 0.1628
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0055 0.0047
Brugia malayi latrophilin 2 splice variant baaae 0.0107 0.1137 0.4275
Brugia malayi beta-lactamase 0.0036 0.0271 0.102
Onchocerca volvulus Huntingtin homolog 0.0127 0.1379 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0271 0.9273
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0392 0.1367
Mycobacterium leprae Probable lipase LipE 0.0036 0.0271 1
Schistosoma mansoni alpha glucosidase 0.0038 0.0292 0.0289
Brugia malayi Latrophilin receptor protein 2 0.005 0.0433 0.1628
Schistosoma mansoni cpg binding protein 0.0062 0.0581 0.0578
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0609 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0047 0.0044
Schistosoma mansoni hypothetical protein 0.0175 0.1974 0.1971
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0292 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0292 0.0289
Loa Loa (eye worm) hypothetical protein 0.0248 0.2863 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0132 0.1394
Echinococcus multilocularis cpg binding protein 0.0062 0.0581 0.0578
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0271 0.0872
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0609 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0271 0.0947
Brugia malayi hypothetical protein 0.0231 0.2659 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0271 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0055 0.0191
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0271 0.3904
Loa Loa (eye worm) hypothetical protein 0.0025 0.0132 0.0461
Schistosoma mansoni alpha-glucosidase 0.0148 0.1634 0.1631
Schistosoma mansoni cpg binding protein 0.0062 0.0581 0.0578
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0271 0.0872
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0132 0.1394
Schistosoma mansoni hypothetical protein 0.005 0.0433 0.0429
Loa Loa (eye worm) latrophilin receptor protein 2 0.005 0.0433 0.1512
Toxoplasma gondii ABC1 family protein 0.0036 0.0271 0.0461
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0271 0.9273
Schistosoma mansoni hypothetical protein 0.0047 0.0404 0.0401
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0271 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0292 0.0539
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0132 0.0497
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0292 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0132 0.4515
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0146 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0111 0.118 0.3804
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0404 0.152
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0132 0.1394
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0132 0.1394
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0271 0.9273
Schistosoma mansoni cpg binding protein 0.0058 0.0541 0.0537
Onchocerca volvulus 0.0036 0.0271 0.1966
Loa Loa (eye worm) beta-lactamase 0.0036 0.0271 0.0947
Loa Loa (eye worm) hypothetical protein 0.0019 0.0055 0.0191
Mycobacterium ulcerans hypothetical protein 0.0025 0.0132 0.1394
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0132 0.1394
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0047 0.0166
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0392 0.0388
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0292 1
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.2659 0.2657
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0292 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0433 0.1512
Onchocerca volvulus 0.0036 0.0271 0.1966
Loa Loa (eye worm) hypothetical protein 0.0127 0.1379 0.4817
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.2659 0.2657
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0292 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0157 0.1744 0.6556
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0292 0.11
Loa Loa (eye worm) hypothetical protein 0.0036 0.0271 0.0947
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0055 0.5
Loa Loa (eye worm) hypothetical protein 0.0231 0.2659 0.9288
Loa Loa (eye worm) hypothetical protein 0.0036 0.0271 0.0947
Loa Loa (eye worm) hypothetical protein 0.0025 0.0132 0.0461
Onchocerca volvulus 0.0025 0.0132 0.0957
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0292 1
Onchocerca volvulus 0.0099 0.1041 0.7549
Onchocerca volvulus 0.0036 0.0271 0.1966
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0392 0.0388
Trichomonas vaginalis esterase, putative 0.0036 0.0271 0.9273
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0271 0.0267
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0271 0.0872
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0271 0.9273
Loa Loa (eye worm) hypothetical protein 0.0107 0.1137 0.3971
Echinococcus granulosus cpg binding protein 0.0062 0.0581 0.0578
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0392 0.0388
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0271 0.9273
Brugia malayi Calcitonin receptor-like protein seb-1 0.0157 0.1744 0.6556
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0392 0.0388
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0146 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.0271 0.3904
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0132 0.0497
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0047 0.0044
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.2668 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0271 0.0267
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0292 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0271 0.0872
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0271 0.0872

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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