Detailed information for compound 561569

Basic information

Technical information
  • TDR Targets ID: 561569
  • Name: 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzen esulfonamide; 5-(4-chlorophenyl)-6-ethyl-pyri midine-2,4-diamine
  • MW: 559.04 | Formula: C24H27ClN8O4S
  • H donors: 4 H acceptors: 6 LogP: 3.25 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1c(OC)ncnc1NS(=O)(=O)c1ccc(cc1)N.CCc1nc(N)nc(c1c1ccc(cc1)Cl)N
  • InChi: 1S/C12H13ClN4.C12H14N4O4S/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-6H,2H2,1H3,(H4,14,15,16,17);3-7H,13H2,1-2H3,(H,14,15,16)
  • InChiKey: LUBUTTBEBGYNJN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-amino-N-(5,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
  • 4-azanyl-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide; 5-(4-chlorophenyl)-6-ethyl-pyrimidine-2,4-diamine
  • [2-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-4-yl]amine; 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
  • 4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide; 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
  • sulfadoxine-pyrimethamine
  • 37338-39-9
  • Pyrimethamine-sulfadoxine mixt.
  • AIDS-007349
  • AIDS007349
  • Pyrimethamine & Sulfadoxine
  • Combination product of Pyrimethamine and Sulfadoxine
  • NSC618943
  • Benzenesulfonamide, 4-amino-N-(5,6-dimethoxy-4-pyrimidinyl)-, mixt. with 5-(4-chlorophenyl)-6-ethyl-2,4-pyrimidinediamine
  • Pyrimethamine combination with sulfadoxine
  • Fansidar (TN)
  • Pyrimethamine - sulfadoxine mixt
  • Suldox
  • Sulfadoxine-pyrimethamine mixt.
  • sulfadoxine/pyrimethamine
  • D02448
  • Pyrimethamine-sulfadoxine
  • Fansidar

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase Curated by TDR Targets References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Dihydropteroate synthase 1 FolP (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate diphosphorylase 1) Get druggable targets OG5_128803 All targets in OG5_128803
Candida albicans likely pterin binding enzyme similar to S. cerevisiae FOL1 (YNL256W) involved in folic acid and derivative biosynthesis Get druggable targets OG5_128803 All targets in OG5_128803
Plasmodium berghei hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase, putative Get druggable targets OG5_128803 All targets in OG5_128803
Mycobacterium ulcerans dihydropteroate synthase 1 FolP1 Get druggable targets OG5_128803 All targets in OG5_128803
Neospora caninum Dihydropteroate synthase, related Get druggable targets OG5_128803 All targets in OG5_128803
Mycobacterium leprae Probable dihydropteroate synthase 1 FolP1 (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate dipyrophosphorylase 1) Get druggable targets OG5_128803 All targets in OG5_128803
Plasmodium vivax hydroxymethylpterin pyrophosphokinase-dihydropteroate synthetase, putative Get druggable targets OG5_128803 All targets in OG5_128803
Toxoplasma gondii dihydropteroate synthase Get druggable targets OG5_128803 All targets in OG5_128803
Plasmodium yoelii dihydropteroate synthase, putative Get druggable targets OG5_128803 All targets in OG5_128803
Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase Get druggable targets OG5_128803 All targets in OG5_128803
Candida albicans likely pterin binding enzyme similar to S. cerevisiae FOL1 (YNL256W) involved in folic acid and derivative biosynthesis Get druggable targets OG5_128803 All targets in OG5_128803
Plasmodium knowlesi hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase, putative Get druggable targets OG5_128803 All targets in OG5_128803
Plasmodium yoelii hypothetical protein Get druggable targets OG5_128803 All targets in OG5_128803
Chlamydia trachomatis bifunctional 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase Get druggable targets OG5_128803 All targets in OG5_128803
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
Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase 0.0427 0.6228 0.5
Plasmodium vivax hydroxymethylpterin pyrophosphokinase-dihydropteroate synthetase, putative 0.0427 0.6228 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0187 1
Mycobacterium ulcerans dihydropteroate synthase 1 FolP1 0.0251 0.3521 1
Echinococcus multilocularis microtubule associated protein 2 0.0671 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0187 0.5
Schistosoma mansoni hypothetical protein 0.0165 0.2187 0.2038
Echinococcus multilocularis geminin 0.0165 0.2187 0.2038
Mycobacterium leprae Probable dihydropteroate synthase 1 FolP1 (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate dipyrophosphorylase 1) 0.0251 0.3521 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0187 0.5
Schistosoma mansoni alpha-glucosidase 0.0136 0.1749 0.1592
Onchocerca volvulus 0.0092 0.1058 0.7138
Schistosoma mansoni hypothetical protein 0.0165 0.2187 0.2038
Toxoplasma gondii dihydropteroate synthase 0.0427 0.6228 1
Leishmania major methionine synthase, putative 0.0093 0.1073 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0187 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0187 0.1741
Mycobacterium tuberculosis Dihydropteroate synthase 2 FolP2 (DHPS 2) (dihydropteroate pyrophosphorylase 2) 0.0093 0.1073 0.3046
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.2089 0.1939
Echinococcus multilocularis muscleblind protein 0.0145 0.1886 0.1731
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0187 0.5
Mycobacterium ulcerans 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase 0.0175 0.2351 0.6676
Loa Loa (eye worm) hypothetical protein 0.0119 0.1483 0.7097
Schistosoma mansoni microtubule-associated protein tau 0.0671 1 1
Mycobacterium leprae PROBABLE DIHYDROPTEROATE SYNTHASE 2 FOLP2 (DHPS 2) (Dihydropteroate pyrophosphorylase 2) 0.0093 0.1073 0.3046
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0187 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0187 0.5
Echinococcus granulosus muscleblind protein 0.0145 0.1886 0.1731
Loa Loa (eye worm) hypothetical protein 0.0145 0.1886 0.9027
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.2089 0.1939
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0187 0.5
Mycobacterium leprae Probable 5-methyltetrahydrofolate--homocystein methyltransferase MetH (Methionine synthase, vitamin-B12 dependent isozyme) (MS) 0.0093 0.1073 0.3046
Brugia malayi Serotonin receptor 0.0529 0.7801 1
Brugia malayi Muscleblind-like protein 0.0145 0.1886 0.2417
Mycobacterium ulcerans B12-dependent methionine synthase 0.0093 0.1073 0.3046
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0187 0.5
Mycobacterium ulcerans dihydropteroate synthase 2 FolP2 0.0093 0.1073 0.3046
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.2089 0.2678
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0187 0.5
Loa Loa (eye worm) hypothetical protein 0.0119 0.1483 0.7097
Schistosoma mansoni alpha-glucosidase 0.0136 0.1749 0.1592
Mycobacterium tuberculosis Dihydropteroate synthase 1 FolP (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate diphosphorylase 1) 0.0251 0.3521 1
Trypanosoma brucei glucosidase, putative 0.0035 0.0187 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0187 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.2089 1
Echinococcus multilocularis muscleblind protein 1 0.0145 0.1886 0.1731
Chlamydia trachomatis bifunctional 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase 0.0427 0.6228 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.2089 0.1939
Onchocerca volvulus Huntingtin homolog 0.0119 0.1483 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0187 0.0239
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0187 0.0894
Echinococcus granulosus geminin 0.0165 0.2187 0.2038
Loa Loa (eye worm) hypothetical protein 0.0145 0.1886 0.9027
Mycobacterium leprae Probable2-amino-4-hydroxy-6-hydroxymethyldihydropterine pyrophosphokinase FolK (7,8-dihydro-6-hydroxymethylpterin-pyrophosphokin 0.0175 0.2351 0.6676
Brugia malayi hypothetical protein 0.0119 0.1483 0.1901
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0187 0.5
Onchocerca volvulus Huntingtin homolog 0.0119 0.1483 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0187 0.5

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:

Affected Entity Phenotypic quality Occurs in Occurs at Evidence Observed in Targets
growth (GO:0040007) lethal (sensu genetics) (PATO:0000718) multi-cellular organism (CARO:0000012) bloodstream stage (PLO:0040) in vivo inhibition (TDR:00016) Plasmodium falciparum 1028  
Annotator: saralph@unimelb.edu.au Comment: 012/Mar/09 References: 15155224 9076734 9391132
growth (GO:0040007) lethal (sensu genetics) (PATO:0000718) multi-cellular organism (CARO:0000012) bloodstream stage (PLO:0040) in vivo inhibition (TDR:00016) Plasmodium vivax 1028  
Annotator: saralph@unimelb.edu.au Comment: 012/Mar/09 References: 15155224 9076734 9391132

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

766 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.