Detailed information for compound 776754

Basic information

Technical information
  • TDR Targets ID: 776754
  • Name: methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6 -methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimi dine-5-carboxylate
  • MW: 401.275 | Formula: C15H17BrN2O4S
  • H donors: 2 H acceptors: 2 LogP: 2.52 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(cc(c1O)Br)C1NC(=NC(=C1C(=O)OC)C)S
  • InChi: 1S/C15H17BrN2O4S/c1-4-22-10-6-8(5-9(16)13(10)19)12-11(14(20)21-3)7(2)17-15(23)18-12/h5-6,12,19H,4H2,1-3H3,(H2,17,18,23)
  • InChiKey: JYIVTKMQVHTHCT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
  • 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
  • 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
  • methyl 4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
  • Oprea1_433021

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
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0362 0.4241 0.6305
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0254 0.0918
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0401 0.0401
Leishmania major protein kinase, putative 0.0071 0.0663 0.6205
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0104 0.1068 1
Echinococcus granulosus maternal embryonic leucine zipper kinase 0.0378 0.4435 0.5142
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0208 0.0208
Mycobacterium ulcerans lipase LipD 0.0038 0.0254 0.0835
Brugia malayi Protein kinase domain containing protein 0.0071 0.0663 0.0985
Loa Loa (eye worm) CAMK/CAMKL/MELK protein kinase 0.0564 0.6726 1
Schistosoma mansoni hypothetical protein 0.0718 0.8625 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0254 0.0918
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0097 0.1457
Schistosoma mansoni hypothetical protein 0.0718 0.8625 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.1473 0.1708
Echinococcus multilocularis geminin 0.0718 0.8625 0.8625
Brugia malayi RNA binding protein 0.0189 0.2114 0.3143
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.1188 0.4286
Schistosoma mansoni glutaminase 0.0265 0.3046 0.3532
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0189 0.2109 0.2445
Onchocerca volvulus 0.0038 0.0254 0.016
Brugia malayi Kinase associated domain 1 family protein 0.0186 0.2079 0.309
Schistosoma mansoni tar DNA-binding protein 0.0189 0.2114 0.2451
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0254 0.0254
Echinococcus granulosus GPCR family 2 0.0115 0.1196 0.1387
Loa Loa (eye worm) hypothetical protein 0.0038 0.0254 0.0238
Entamoeba histolytica protein kinase domain containing protein 0.0104 0.1068 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0137 0.1473 0.219
Trichomonas vaginalis CAMK family protein kinase 0.0564 0.6726 1
Schistosoma mansoni serine/threonine protein kinase 0.0189 0.2109 0.2445
Schistosoma mansoni serine/threonine protein kinase 0.0189 0.2109 0.2445
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.1188 0.4286
Onchocerca volvulus 0.0271 0.3123 1
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0254 0.0918
Plasmodium falciparum thioredoxin reductase 0.005 0.0401 0.6053
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0208 0.0241
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0242 0.2771 1
Trichomonas vaginalis CAMK family protein kinase 0.0378 0.4435 0.6594
Echinococcus granulosus tar DNA binding protein 0.0189 0.2114 0.2451
Schistosoma mansoni hypothetical protein 0.0115 0.1196 0.1387
Trypanosoma brucei trypanothione reductase 0.005 0.0401 0.3756
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.1188 0.4286
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0254 0.2381
Trichomonas vaginalis glutaminase, putative 0.0265 0.3046 0.4529
Echinococcus granulosus dual specificity protein kinase clk2 0.0071 0.0663 0.0768
Mycobacterium tuberculosis Conserved protein 0.0038 0.0254 0.0918
Echinococcus multilocularis dual specificity protein kinase clk2 0.0071 0.0663 0.0663
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0254 0.0295
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0097 0.0904
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0208 0.0208
Entamoeba histolytica protein kinase, putative 0.0104 0.1068 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0208 0.0241
Loa Loa (eye worm) hypothetical protein 0.0038 0.0254 0.0238
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0097 0.1457
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0189 0.2114 0.3044
Schistosoma mansoni hypothetical protein 0.0038 0.0255 0.0295
Mycobacterium tuberculosis Conserved protein 0.0038 0.0254 0.0918
Loa Loa (eye worm) hypothetical protein 0.0247 0.2832 0.4125
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0254 0.0378
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0137 0.1473 0.2077
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.1473 0.1473
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0097 0.1457
Echinococcus multilocularis hypothetical protein 0.0186 0.2079 0.2079
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0071 0.0663 0.6205
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.1473 0.1473
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0254 0.0295
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0254 0.0378
Brugia malayi Thioredoxin reductase 0.005 0.0401 0.0596
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0401 0.0459
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0071 0.0663 0.6205
Schistosoma mansoni serine/threonine kinase 0.0564 0.6726 0.7798
Schistosoma mansoni tar DNA-binding protein 0.0189 0.2114 0.2451
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.1473 0.1708
Loa Loa (eye worm) glutaminase 2 0.0265 0.3046 0.4449
Loa Loa (eye worm) glutaminase 0.0265 0.3046 0.4449
Schistosoma mansoni tar DNA-binding protein 0.0189 0.2114 0.2451
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0097 0.0904
Toxoplasma gondii thioredoxin reductase 0.005 0.0401 0.6053
Loa Loa (eye worm) hypothetical protein 0.0186 0.2079 0.299
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0254 0.0238
Echinococcus granulosus geminin 0.0718 0.8625 1
Mycobacterium ulcerans glutaminase 0.0265 0.3046 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.1473 0.1708
Loa Loa (eye worm) RNA binding protein 0.0189 0.2114 0.3044
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0189 0.2109 0.2445
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0255 0.0255
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0 0.5
Brugia malayi glutaminase DH11.1 0.0265 0.3046 0.4529
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0254 0.0835
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.1473 0.1708
Echinococcus granulosus dual specificity 0.0104 0.1068 0.1238
Schistosoma mansoni hypothetical protein 0.0115 0.1196 0.1387
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0254 0.0378
Leishmania major hypothetical protein, conserved 0.0038 0.0254 0.2381
Echinococcus multilocularis calcium activated potassium channel 0.0189 0.2109 0.2109
Brugia malayi Pre-SET motif family protein 0.0238 0.2718 0.4041
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0254 0.2381
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0071 0.0663 0.6205
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0115 0.1196 0.1387
Trichomonas vaginalis CMGC family protein kinase 0.0071 0.0663 0.0985
Echinococcus multilocularis tar DNA binding protein 0.0189 0.2114 0.2114
Brugia malayi Protein kinase domain containing protein 0.0104 0.1068 0.1588
Schistosoma mansoni serine/threonine protein kinase 0.0071 0.0663 0.0768
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0208 0.0241
Echinococcus granulosus hypothetical protein 0.0069 0.0632 0.0733
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.1344 0.4849
Schistosoma mansoni hypothetical protein 0.0115 0.1196 0.1387
Schistosoma mansoni serine/threonine protein kinase 0.0071 0.0663 0.0768
Mycobacterium tuberculosis Conserved protein 0.0038 0.0254 0.0918
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0254 0.0378
Loa Loa (eye worm) hypothetical protein 0.0102 0.1038 0.142
Onchocerca volvulus 0.0038 0.0254 0.016
Loa Loa (eye worm) hypothetical protein 0.0034 0.0208 0.0168
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0238 0.2718 0.3955
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0071 0.0663 0.6205
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0189 0.2109 0.2109
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0401 0.1448
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0362 0.4241 0.6251
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0254 0.0918
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.1344 1
Schistosoma mansoni hypothetical protein 0.0186 0.2079 0.241
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0255 0.0295
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0097 0.0904
Loa Loa (eye worm) latrophilin receptor protein 2 0.0115 0.1196 0.1659
Brugia malayi beta-lactamase family protein 0.0038 0.0254 0.0378
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0401 0.6053
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0104 0.1068 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.1344 0.4849
Leishmania major trypanothione reductase 0.005 0.0401 0.3756
Loa Loa (eye worm) hypothetical protein 0.0069 0.0632 0.0808
Toxoplasma gondii ABC1 family protein 0.0038 0.0254 0.3837
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0254 0.0918
Schistosoma mansoni serine/threonine protein kinase 0.0189 0.2109 0.2445
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.1188 0.4286
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0104 0.1068 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0115 0.1196 0.1196
Mycobacterium tuberculosis Probable reductase 0.0114 0.1188 0.4286
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0254 0.0918
Mycobacterium ulcerans hypothetical protein 0.0038 0.0254 0.0835
Plasmodium falciparum glutathione reductase 0.005 0.0401 0.6053
Schistosoma mansoni hypothetical protein 0.0115 0.1196 0.1387
Brugia malayi hypothetical protein 0.0038 0.0255 0.0379
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0189 0.2109 0.2109
Brugia malayi RNA recognition motif domain containing protein 0.0189 0.2114 0.3143
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.1344 0.4849
Brugia malayi Pre-SET motif family protein 0.0034 0.0208 0.0309
Echinococcus granulosus calcium activated potassium channel 0.0189 0.2109 0.2445
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0208 0.0241
Schistosoma mansoni serine/threonine protein kinase 0.0189 0.2109 0.2445
Onchocerca volvulus 0.0038 0.0254 0.016
Treponema pallidum NADH oxidase 0.0017 0 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0115 0.1196 0.1387
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0097 0.1457
Loa Loa (eye worm) glutathione reductase 0.005 0.0401 0.0459
Loa Loa (eye worm) hypothetical protein 0.0102 0.1038 0.142
Schistosoma mansoni serine/threonine protein kinase 0.0189 0.2109 0.2445
Loa Loa (eye worm) hypothetical protein 0.0038 0.0254 0.0238
Plasmodium vivax glutathione reductase, putative 0.005 0.0401 0.6053
Trichomonas vaginalis set domain proteins, putative 0.0271 0.3123 0.4643
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0208 0.3134
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0104 0.1068 0.1465
Brugia malayi hypothetical protein 0.0025 0.0097 0.0144
Echinococcus multilocularis dual specificity 0.0104 0.1068 0.1068
Brugia malayi Protein kinase domain containing protein 0.0564 0.6726 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0254 0.0918
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.1068 0.1238
Loa Loa (eye worm) TAR-binding protein 0.0189 0.2114 0.3044
Brugia malayi beta-lactamase family protein 0.0038 0.0254 0.0378
Echinococcus multilocularis 0.0069 0.0632 0.0632
Loa Loa (eye worm) hypothetical protein 0.0362 0.4241 0.6251
Loa Loa (eye worm) hypothetical protein 0.0038 0.0254 0.0238
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0071 0.0663 0.6205
Brugia malayi Latrophilin receptor protein 2 0.0115 0.1196 0.1779
Loa Loa (eye worm) hypothetical protein 0.0115 0.1196 0.1659
Leishmania major hypothetical protein, conserved 0.0025 0.0097 0.0904
Schistosoma mansoni tar DNA-binding protein 0.0189 0.2114 0.2451
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0255 0.0295
Brugia malayi latrophilin 2 splice variant baaae 0.0247 0.2832 0.421
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0254 0.3837
Echinococcus multilocularis GPCR, family 2 0.0115 0.1196 0.1196
Mycobacterium ulcerans beta-lactamase 0.0038 0.0254 0.0835
Giardia lamblia Kinase, CMGC CLK 0.0071 0.0663 1
Brugia malayi TAR-binding protein 0.0189 0.2114 0.3143
Plasmodium vivax serine/threonine kinase-1, putative 0.0071 0.0663 1
Brugia malayi glutathione reductase 0.005 0.0401 0.0596
Trichomonas vaginalis CAMK family protein kinase 0.0378 0.4435 0.6594
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0401 0.3756
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0104 0.1068 1
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0254 0.0835
Plasmodium falciparum protein serine/threonine kinase-1 0.0071 0.0663 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0071 0.0663 0.6205
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0254 0.0378
Loa Loa (eye worm) beta-lactamase 0.0038 0.0254 0.0238
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0254 0.2381
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0208 0.0241
Loa Loa (eye worm) hypothetical protein 0.0038 0.0254 0.0238
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0254 0.0295
Schistosoma mansoni hypothetical protein 0.0186 0.2079 0.241
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0115 0.1196 0.1196
Trichomonas vaginalis esterase, putative 0.0038 0.0254 0.0378
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0071 0.0663 0.0854
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0401 0.0465
Plasmodium vivax SET domain protein, putative 0.0034 0.0208 0.3134
Brugia malayi beta-lactamase 0.0038 0.0254 0.0378
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.1473 0.1708
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0254 0.0378
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0115 0.1196 0.1779
Loa Loa (eye worm) hypothetical protein 0.0038 0.0254 0.0238
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.1188 0.4286
Echinococcus multilocularis maternal embryonic leucine zipper kinase 0.0378 0.4435 0.4435
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0114 0.1188 0.8566
Entamoeba histolytica protein kinase, putative 0.0104 0.1068 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0362 0.4241 0.6305
Schistosoma mansoni hypothetical protein 0.0247 0.2832 0.3283
Entamoeba histolytica hypothetical protein 0.0104 0.1068 1
Leishmania major protein kinase, putative 0.0071 0.0663 0.6205
Schistosoma mansoni tar DNA-binding protein 0.0189 0.2114 0.2451
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0071 0.0663 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0192 0.0223

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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