Detailed information for compound 82309

Basic information

Technical information
  • TDR Targets ID: 82309
  • Name: [2-amino-4-(4-methylphenyl)-5-phenylthiophen- 3-yl]-(4-phenylphenyl)methanone
  • MW: 445.575 | Formula: C30H23NOS
  • H donors: 1 H acceptors: 1 LogP: 8.43 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1c(c(sc1c1ccccc1)N)C(=O)c1ccc(cc1)c1ccccc1
  • InChi: 1S/C30H23NOS/c1-20-12-14-23(15-13-20)26-27(30(31)33-29(26)25-10-6-3-7-11-25)28(32)24-18-16-22(17-19-24)21-8-4-2-5-9-21/h2-19H,31H2,1H3
  • InChiKey: ZUPIYUWYAIGHOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-amino-5-phenyl-4-(p-tolyl)-3-thienyl]-(4-phenylphenyl)methanone
  • [2-azanyl-4-(4-methylphenyl)-5-phenyl-thiophen-3-yl]-(4-phenylphenyl)methanone
  • [2-amino-4-(4-methylphenyl)-5-phenyl-3-thienyl]-(4-phenylphenyl)methanone
  • [2-amino-4-(4-methylphenyl)-5-phenyl-thiophen-3-yl]-(4-phenylphenyl)methanone

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
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0414 0.2579 0.2494
Trypanosoma brucei glucosidase, putative 0.0183 0.0497 1
Echinococcus granulosus lysosomal alpha glucosidase 0.1237 1 1
Loa Loa (eye worm) alpha-L-fucosidase 0.0414 0.2579 0.2579
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.014 0.0113 0.0113
Trichomonas vaginalis alpha-glucosidase, putative 0.0183 0.0497 1
Brugia malayi Alpha-L-fucosidase family protein 0.0414 0.2579 0.2579
Loa Loa (eye worm) hypothetical protein 0.014 0.0113 0.0113
Trypanosoma cruzi hypothetical protein, conserved 0.0183 0.0497 1
Trypanosoma cruzi hypothetical protein, conserved 0.0183 0.0497 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.014 0.0113 0.227
Schistosoma mansoni alpha-glucosidase 0.1182 0.9503 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0183 0.0497 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0183 0.0497 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0183 0.0497 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0183 0.0497 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0183 0.0497 0.0497
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0183 0.0497 0.0497
Trichomonas vaginalis glycogen debranching enzyme, putative 0.014 0.0113 0.227
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0181 0.0487 0.9806
Leishmania major alpha glucosidase II subunit, putative 0.0183 0.0497 1
Schistosoma mansoni alpha glucosidase 0.0183 0.0497 0.0026
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0414 0.2579 0.2494
Trichomonas vaginalis alpha-glucosidase, putative 0.0183 0.0497 1
Mycobacterium ulcerans alpha-L-fucosidase 0.0414 0.2579 0.5
Giardia lamblia 4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase 0.014 0.0113 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0183 0.0497 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0183 0.0497 1
Entamoeba histolytica glycogen debranching enzyme, putative 0.014 0.0113 0.227
Echinococcus multilocularis lysosomal alpha glucosidase 0.1237 1 1
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0181 0.0487 0.9806
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1237 1 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0183 0.0497 1
Onchocerca volvulus 0.0892 0.6886 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0183 0.0497 1
Schistosoma mansoni alpha-l-fucosidase 0.0414 0.2579 0.2332
Echinococcus multilocularis neutral alpha glucosidase AB 0.0183 0.0497 0.0388
Schistosoma mansoni alpha-glucosidase 0.1182 0.9503 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0183 0.0497 0.0388
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0183 0.0497 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.1237 1 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0183 0.0497 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 3.6 % Dissociation of [3H]-N6-cyclohexyladenosine ([3H]-CHA) from CHO-K1 membrane expressing human adenosine A1 receptor after treament with allosteric enhancer at 100 microM and (R)-PIA ChEMBL. 12723950
Activity (binding) = 3.6 % Dissociation of [3H]-N6-cyclohexyladenosine ([3H]-CHA) from CHO-K1 membrane expressing human adenosine A1 receptor after treament with allosteric enhancer at 100 microM and (R)-PIA ChEMBL. 12723950

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

1 literature reference was collected for this gene.

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