Detailed information for compound 872310

Basic information

Technical information
  • TDR Targets ID: 872310
  • Name: 2-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyri midin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamid e
  • MW: 456.581 | Formula: C22H24N4O3S2
  • H donors: 2 H acceptors: 5 LogP: 4.48 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)NC(=O)CSc1ncc(c(n1)N)S(=O)(=O)c1ccc(c(c1)C)C
  • InChi: 1S/C22H24N4O3S2/c1-4-16-6-8-17(9-7-16)25-20(27)13-30-22-24-12-19(21(23)26-22)31(28,29)18-10-5-14(2)15(3)11-18/h5-12H,4,13H2,1-3H3,(H,25,27)(H2,23,24,26)
  • InChiKey: QDHYEBGSLPEART-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-amino-5-(3,4-dimethylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
  • 2-[[4-amino-5-(3,4-dimethylphenyl)sulfonyl-2-pyrimidinyl]thio]-N-(4-ethylphenyl)acetamide
  • 2-[[4-amino-5-(3,4-dimethylphenyl)sulfonyl-pyrimidin-2-yl]thio]-N-(4-ethylphenyl)acetamide
  • 2-[4-amino-5-(3,4-dimethylphenyl)sulfonyl-pyrimidin-2-yl]sulfanyl-N-(4-ethylphenyl)ethanamide

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
Brugia malayi chromobox protein homolog 3 0.004 0.0229 0.0229
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0071 0.2536 0.2804
Schistosoma mansoni chromobox protein 0.0072 0.2644 0.2924
Toxoplasma gondii melibiase subfamily protein 0.0106 0.5228 1
Brugia malayi Thioredoxin reductase 0.0049 0.0878 0.0878
Mycobacterium tuberculosis Probable oxidoreductase 0.0124 0.6606 1
Schistosoma mansoni chromobox protein 0.0072 0.2644 0.2924
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0463 0.0265
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0071 0.2536 0.2804
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0124 0.6606 1
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0463 0.175
Leishmania major trypanothione reductase 0.0049 0.0878 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0878 0.0878
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0169 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0229 0.0229
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.5228 0.5781
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 1 1
Schistosoma mansoni alpha-glucosidase 0.0145 0.821 0.9079
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.5657 0.8342
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.5657 0.8342
Onchocerca volvulus 0.0156 0.9068 1
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0229 0.0866
Loa Loa (eye worm) hypothetical protein 0.0071 0.2536 0.2536
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0106 0.5228 0.5228
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0124 0.6606 1
Toxoplasma gondii thioredoxin reductase 0.0049 0.0878 0.168
Trypanosoma brucei trypanothione reductase 0.0049 0.0878 1
Loa Loa (eye worm) hypothetical protein 0.0156 0.9068 0.9068
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0124 0.6606 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.5228 0.5781
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0 0.5
Brugia malayi Heterochromatin protein 1 0.0072 0.2644 0.2644
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0878 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0878 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0169 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.5657 0.8342
Schistosoma mansoni alpha-glucosidase 0.0145 0.821 0.9079
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0463 0.175
Brugia malayi Melibiase family protein 0.0071 0.2536 0.2536
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0106 0.5228 0.5228
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.5228 0.5781
Plasmodium falciparum thioredoxin reductase 0.0049 0.0878 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0106 0.5228 0.5781
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.5657 0.8342
Brugia malayi hypothetical protein 0.0156 0.9068 0.9068
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0878 0.0878
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0106 0.5228 0.5228
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0229 0.0866
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.2644 0.2644
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0071 0.2536 0.9592
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.5657 0.8342
Echinococcus granulosus lysosomal alpha glucosidase 0.0169 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0878 0.0878
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0 0.5
Echinococcus multilocularis chromobox protein 1 0.0072 0.2644 0.2644
Echinococcus granulosus chromobox protein 1 0.0072 0.2644 0.2644
Plasmodium vivax glutathione reductase, putative 0.0049 0.0878 0.5
Plasmodium falciparum glutathione reductase 0.0049 0.0878 0.5
Mycobacterium tuberculosis Probable reductase 0.0112 0.5657 0.8342
Onchocerca volvulus 0.0098 0.4581 0.4924
Echinococcus granulosus chromobox protein 1 0.0072 0.2644 0.2644
Loa Loa (eye worm) glutathione reductase 0.0049 0.0878 0.0878
Trichomonas vaginalis chromobox protein, putative 0.0072 0.2644 1
Trichomonas vaginalis chromobox protein, putative 0.0072 0.2644 1
Brugia malayi glutathione reductase 0.0049 0.0878 0.0878
Echinococcus multilocularis chromobox protein 1 0.0072 0.2644 0.2644

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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