Detailed information for compound 1268263

Basic information

Technical information
  • TDR Targets ID: 1268263
  • Name: N-butyl-N-methyl-2-(6-methyl-4-oxothieno[2,3- d]pyrimidin-3-yl)acetamide
  • MW: 293.385 | Formula: C14H19N3O2S
  • H donors: 0 H acceptors: 2 LogP: 2.08 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(C(=O)Cn1cnc2c(c1=O)cc(s2)C)C
  • InChi: 1S/C14H19N3O2S/c1-4-5-6-16(3)12(18)8-17-9-15-13-11(14(17)19)7-10(2)20-13/h7,9H,4-6,8H2,1-3H3
  • InChiKey: QYFKEZSHWMEKFG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-butyl-N-methyl-2-(6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetamide
  • N-butyl-N-methyl-2-(6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)acetamide
  • N-butyl-2-(4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl)-N-methyl-acetamide
  • N-butyl-N-methyl-2-(6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)ethanamide
  • ZINC02927715
  • Oprea1_450949
  • MLS000047122
  • N-butyl-N-methyl-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
  • SMR000033133
  • EU-0066005

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens galactosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Melibiase family protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Toxoplasma gondii melibiase subfamily protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Neospora caninum hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Glycoside hydrolase, family 27 Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum expressed protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum ko:K01204 alpha-N-acetylgalactosaminidase [EC3.2.1.49], putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase precursor, putative Get druggable targets OG5_127620 All targets in OG5_127620

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 Amylo-alpha-1,6-glucosidase family protein 0.0151 0.0118 0.0017
Trichomonas vaginalis sucrase-isomaltase, putative 0.0329 0.0896 0.1396
Brugia malayi Glycosyl hydrolases family 31 protein 0.0329 0.0896 0.0802
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0329 0.0896 0.1396
Brugia malayi Glycosyl hydrolases family 31 protein 0.1712 0.6944 0.6913
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.0151 0.0118 0.1319
Trichomonas vaginalis glucosylceramidase, putative 0.095 0.3613 0.6173
Schistosoma mansoni alpha glucosidase 0.0329 0.0896 0.0896
Echinococcus granulosus non lysosomal glucosylceramidase 0.1856 0.7574 0.7574
Trichomonas vaginalis glucosylceramidase, putative 0.1448 0.579 1
Trypanosoma brucei glucosidase, putative 0.0329 0.0896 1
Schistosoma mansoni ceramide glucosyltransferase 0.2411 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.1448 0.579 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0329 0.0896 0.0896
Echinococcus multilocularis ceramide glucosyltransferase 0.2411 1 1
Onchocerca volvulus 0.1028 0.3955 0.3893
Schistosoma mansoni ceramide glucosyltransferase 0.2411 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0329 0.0896 1
Echinococcus granulosus lysosomal alpha glucosidase 0.1712 0.6944 0.6944
Trichomonas vaginalis glucosylceramidase, putative 0.1448 0.579 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0329 0.0896 0.1396
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0329 0.0896 1
Trichomonas vaginalis glucosylceramidase, putative 0.095 0.3613 0.6173
Trichomonas vaginalis glucosylceramidase, putative 0.1448 0.579 1
Trichomonas vaginalis glucosylceramidase, putative 0.1448 0.579 1
Echinococcus granulosus glycogen debranching enzyme 0.0151 0.0118 0.0118
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0329 0.0896 0.0802
Entamoeba histolytica glycogen debranching enzyme, putative 0.0151 0.0118 0.0208
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1712 0.6944 0.6913
Echinococcus granulosus ceramide glucosyltransferase 0.2411 1 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0329 0.0896 0.1396
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0329 0.0896 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.1712 0.6944 0.6944
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0151 0.0118 0.0029
Trichomonas vaginalis alpha-glucosidase, putative 0.0329 0.0896 0.1396
Echinococcus granulosus neutral alpha glucosidase AB 0.0329 0.0896 0.0896
Trichomonas vaginalis glucosylceramidase, putative 0.095 0.3613 0.6173
Trichomonas vaginalis glucosylceramidase, putative 0.095 0.3613 0.6173
Giardia lamblia Ceramide glucosyltransferase 0.1093 0.4238 1
Trypanosoma cruzi hypothetical protein, conserved 0.0329 0.0896 1
Schistosoma mansoni hypothetical protein 0.0194 0.0306 0.0306
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.1448 0.579 0.5747
Schistosoma mansoni bile acid beta-glucosidase-related 0.1856 0.7574 0.7574
Schistosoma mansoni bile acid beta-glucosidase-related 0.1856 0.7574 0.7574
Trichomonas vaginalis glucosylceramidase, putative 0.095 0.3613 0.6173
Trichomonas vaginalis glucosylceramidase, putative 0.095 0.3613 0.6173
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.2411 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0329 0.0896 0.1396
Trichomonas vaginalis alpha-glucosidase, putative 0.0329 0.0896 0.1396
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0151 0.0118 0.0029
Trichomonas vaginalis glucosylceramidase, putative 0.095 0.3613 0.6173
Echinococcus multilocularis bile acid beta glucosidase 0.1856 0.7574 0.7574
Loa Loa (eye worm) hypothetical protein 0.1253 0.4937 0.4885
Trichomonas vaginalis glucosylceramidase, putative 0.1001 0.3837 0.6566
Loa Loa (eye worm) ceramide glucosyltransferase 0.2411 1 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0329 0.0896 1
Echinococcus multilocularis non lysosomal glucosylceramidase 0.1856 0.7574 0.7574
Schistosoma mansoni alpha-glucosidase 0.153 0.615 0.615
Echinococcus granulosus bile acid beta glucosidase 0.1856 0.7574 0.7574
Trichomonas vaginalis alpha-glucosidase, putative 0.0329 0.0896 0.1396
Onchocerca volvulus Glucosylceramidase homolog 0.095 0.3613 0.3547
Echinococcus multilocularis lysosomal alpha glucosidase 0.1712 0.6944 0.6944
Trichomonas vaginalis glucosylceramidase, putative 0.1448 0.579 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.1448 0.579 0.5747
Schistosoma mansoni alpha-glucosidase 0.153 0.615 0.615
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0329 0.0896 0.1396
Loa Loa (eye worm) hypothetical protein 0.0151 0.0118 0.0017
Echinococcus multilocularis glycogen debranching enzyme 0.0151 0.0118 0.0118
Trichomonas vaginalis glucosylceramidase, putative 0.1001 0.3837 0.6566
Leishmania major alpha glucosidase II subunit, putative 0.0329 0.0896 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4716 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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