Detailed information for compound 368068

Basic information

Technical information
  • TDR Targets ID: 368068
  • Name: ethyl 5-amino-4-(3-methoxyphenyl)-2-methylsul fanylthieno[2,3-d]pyrimidine-6-carboxylate
  • MW: 375.465 | Formula: C17H17N3O3S2
  • H donors: 1 H acceptors: 3 LogP: 4.46 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1sc2c(c1N)c(nc(n2)SC)c1cccc(c1)OC
  • InChi: 1S/C17H17N3O3S2/c1-4-23-16(21)14-12(18)11-13(9-6-5-7-10(8-9)22-2)19-17(24-3)20-15(11)25-14/h5-8H,4,18H2,1-3H3
  • InChiKey: HSQLIQNRPIMMEP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 5-amino-4-(3-methoxyphenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate
  • 5-amino-4-(3-methoxyphenyl)-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
  • ethyl 5-azanyl-4-(3-methoxyphenyl)-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate
  • 5-amino-4-(3-methoxyphenyl)-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester
  • ethyl 5-amino-4-(3-methoxyphenyl)-2-methylsulfanylthieno[5,4-d]pyrimidine-6-carboxylate
  • ethyl 5-amino-4-(3-methoxyphenyl)-2-methylsulfanyl-thieno[5,4-d]pyrimidine-6-carboxylate
  • 5-amino-4-(3-methoxyphenyl)-2-(methylthio)-6-thieno[5,4-d]pyrimidinecarboxylic acid ethyl ester
  • 5-amino-4-(3-methoxyphenyl)-2-(methylthio)thieno[5,4-d]pyrimidine-6-carboxylic acid ethyl ester

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
Entamoeba histolytica methionine aminopeptidase, putative 0.0144 1 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0067 0.1913 0.1913
Mycobacterium ulcerans methionine aminopeptidase 0.0049 0 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0049 0 0.5
Chlamydia trachomatis methionine aminopeptidase 0.0049 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0144 1 0.5
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0144 1 1
Giardia lamblia Methionine aminopeptidase 0.0144 1 0.5
Loa Loa (eye worm) initiation factor 2-associated protein 0.0144 1 1
Treponema pallidum methionine aminopeptidase (map) 0.0049 0 0.5
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0144 1 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0067 0.1913 0.1913
Leishmania major methionine aminopeptidase 2, putative 0.0144 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0049 0 0.5
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0049 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0144 1 0.5
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0049 0 0.5
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0049 0 0.5
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0144 1 1
Echinococcus multilocularis methionyl aminopeptidase 2 0.0144 1 1
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0067 0.1913 0.1913
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0144 1 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0049 0 0.5
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0144 1 0.5
Plasmodium falciparum methionine aminopeptidase 2 0.0144 1 1
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0144 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0144 1 0.5
Echinococcus granulosus methionyl aminopeptidase 2 0.0144 1 1
Toxoplasma gondii methionine aminopeptidase 0.0067 0.1913 0.1913
Plasmodium vivax methionine aminopeptidase 2, putative 0.0144 1 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0144 1 1
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0144 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 0 Agonist activity at TSHR expressed in HEK293 EM cells measured by intracellular cAMP accumulation ChEMBL. 16789744
EC50 (functional) 0 Agonist activity at LHCGR expressed in HEK293 EM cells measured by intracellular cAMP accumulation ChEMBL. 16789744
Efficacy (functional) = 1.5 % Agonist activity at TSHR expressed in HEK293 EM cells measured by intracellular cAMP accumulation relative to TSH ChEMBL. 16789744
Efficacy (functional) = 1.5 % Agonist activity at TSHR expressed in HEK293 EM cells measured by intracellular cAMP accumulation relative to TSH ChEMBL. 16789744
Efficacy (functional) = 4.2 % Agonist activity at LHCGR expressed in HEK293 EM cells measured by intracellular cAMP accumulation relative to LH ChEMBL. 16789744
Efficacy (functional) = 4.2 % Agonist activity at LHCGR expressed in HEK293 EM cells measured by intracellular cAMP accumulation relative to LH ChEMBL. 16789744

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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