Detailed information for compound 670343

Basic information

Technical information
  • TDR Targets ID: 670343
  • Name: 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6-methyl -N-(4-methylphenyl)-2-sulfanylidene-3,4-dihyd ro-1H-pyrimidine-5-carboxamide
  • MW: 490.413 | Formula: C22H24BrN3O3S
  • H donors: 2 H acceptors: 1 LogP: 4.19 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1c(Br)cc(cc1OC)C1NC(=NC(=C1C(=O)Nc1ccc(cc1)C)C)S
  • InChi: 1S/C22H24BrN3O3S/c1-5-29-20-16(23)10-14(11-17(20)28-4)19-18(13(3)24-22(30)26-19)21(27)25-15-8-6-12(2)7-9-15/h6-11,19H,5H2,1-4H3,(H,25,27)(H2,24,26,30)
  • InChiKey: ZXLWOPBWOPSDMJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(3-bromo-4-ethoxy-5-methoxy-phenyl)-6-methyl-N-(4-methylphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
  • 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
  • 4-(3-bromo-4-ethoxy-5-methoxy-phenyl)-6-methyl-N-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
  • STK118595

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
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0182 0.3986 0.2689
Echinococcus granulosus CAAX prenyl protease 2 0.0187 0.4105 0.5338
Loa Loa (eye worm) hypothetical protein 0.0034 0.0443 0.0443
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.2259 0.8837
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0019 0.0025
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.594 1
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.594 1
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0039 0.0544 0.207
Schistosoma mansoni lozenge 0.0054 0.0921 0.1197
Echinococcus multilocularis geminin 0.0336 0.769 1
Brugia malayi Trypsin family protein 0.0096 0.1925 0.1925
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0263 0.594 0.594
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.2019 0.2626
Onchocerca volvulus 0.0432 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0122 0.2553 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0825 0.0825
Toxoplasma gondii hypothetical protein 0.0039 0.0544 0.2624
Loa Loa (eye worm) hypothetical protein 0.0432 1 1
Brugia malayi Thioredoxin reductase 0.0048 0.0776 0.0776
Trypanosoma brucei CAAX amino terminal protease, putative 0.0187 0.4105 1
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.3766 0.6328
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.399 0.6706
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0776 0.0776
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.01 0.2019 0.2626
Loa Loa (eye worm) hypothetical protein 0.0067 0.1219 0.1219
Toxoplasma gondii CAAX amino terminal protease family protein 0.0039 0.0544 0.2624
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0096 0.1925 0.2504
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.3766 0.6328
Brugia malayi glutathione reductase 0.0048 0.0776 0.0776
Schistosoma mansoni hypothetical protein 0.0336 0.769 1
Toxoplasma gondii thioredoxin reductase 0.0048 0.0776 0.3783
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0122 0.2553 1
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.3766 0.6328
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0776 1
Mycobacterium ulcerans integral membrane protein 0.0039 0.0544 1
Giardia lamblia Hypothetical protein 0.0187 0.4105 1
Leishmania major trypanothione reductase 0.0048 0.0776 0.1852
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0187 0.4105 1
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.594 1
Mycobacterium tuberculosis Probable reductase 0.011 0.2259 0.8837
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0776 0.1852
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.3766 0.6328
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0776 0.1009
Loa Loa (eye worm) runx1 0.0054 0.0921 0.0921
Brugia malayi CAAX amino terminal protease family protein 0.0187 0.4105 0.4105
Echinococcus multilocularis Protein lozenge 0.0054 0.0921 0.1197
Echinococcus multilocularis Glycoside hydrolase, family 27 0.01 0.2019 0.2626
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.2259 0.8837
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0443 0.0443
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.399 0.6706
Plasmodium falciparum glutathione reductase 0.0048 0.0776 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.2019 0.2626
Plasmodium vivax protease, putative 0.0039 0.0544 0.6936
Toxoplasma gondii hypothetical protein 0.0039 0.0544 0.2624
Echinococcus multilocularis CAAX prenyl protease 2 0.0187 0.4105 0.5338
Echinococcus granulosus geminin 0.0336 0.769 1
Loa Loa (eye worm) hypothetical protein 0.0187 0.4105 0.4105
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.2259 0.8837
Plasmodium falciparum protease, putative 0.0039 0.0544 0.6936
Toxoplasma gondii melibiase subfamily protein 0.01 0.2019 1
Treponema pallidum hypothetical protein 0.0039 0.0544 1
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.3766 0.6328
Loa Loa (eye worm) hypothetical protein 0.0096 0.1925 0.1925
Onchocerca volvulus 0.0096 0.1925 0.0183
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0067 0.1219 0.2026
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.594 1
Plasmodium falciparum thioredoxin reductase 0.0048 0.0776 1
Schistosoma mansoni hypothetical protein 0.0336 0.769 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0019 0.5
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0187 0.4105 0.5338
Mycobacterium tuberculosis Probable oxidoreductase 0.0122 0.2553 1
Entamoeba histolytica CAAX prenyl protease family 0.0187 0.4105 1
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0187 0.4105 1
Loa Loa (eye worm) glutathione reductase 0.0048 0.0776 0.0776
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.3766 0.6328
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0776 0.1009
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.1219 0.1585
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.01 0.2019 0.2626
Schistosoma mansoni hypothetical protein 0.0034 0.0443 0.0576
Loa Loa (eye worm) hypothetical protein 0.0432 1 1
Onchocerca volvulus Glucosylceramidase homolog 0.0173 0.3766 0.2421
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.2019 0.2626
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.2259 0.8837
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0187 0.4105 0.5338
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.2259 0.8837
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.594 1
Brugia malayi Melibiase family protein 0.0067 0.1219 0.1219
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0187 0.4105 0.6899
Mycobacterium ulcerans hypothetical protein 0.0039 0.0544 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0096 0.1925 0.2504
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0019 0.0019
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.01 0.2019 0.2626
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0825 0.0825
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.0544 0.207
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0825 0.0825
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0122 0.2553 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0776 0.2985
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0019 0.0025
Loa Loa (eye worm) hypothetical protein 0.0182 0.3986 0.3986
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0019 0.0025
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.3766 0.6328
Loa Loa (eye worm) hypothetical protein 0.0096 0.1925 0.1925
Plasmodium vivax glutathione reductase, putative 0.0048 0.0776 1
Chlamydia trachomatis hypothetical protein 0.0039 0.0544 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0263 0.594 0.594
Mycobacterium ulcerans hypothetical protein 0.0039 0.0544 1
Trypanosoma brucei trypanothione reductase 0.0048 0.0776 0.1852
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0039 0.0544 0.207
Mycobacterium tuberculosis Probable integral membrane protein 0.0039 0.0544 0.207
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.594 1
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0187 0.4105 1
Brugia malayi N-terminal motif family protein 0.0182 0.3986 0.3986
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0019 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.0825 0.0825
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.1219 0.1585

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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