Detailed information for compound 1451160

Basic information

Technical information
  • TDR Targets ID: 1451160
  • Name: N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1, 3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfany l]acetamide
  • MW: 373.492 | Formula: C18H19N3O2S2
  • H donors: 1 H acceptors: 2 LogP: 2.64 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1C)C)CSCc1cc(=O)n2c(n1)sc(c2)C
  • InChi: 1S/C18H19N3O2S2/c1-11-4-5-15(12(2)6-11)20-16(22)10-24-9-14-7-17(23)21-8-13(3)25-18(21)19-14/h4-8H,9-10H2,1-3H3,(H,20,22)
  • InChiKey: ACRHGVZZGJXEOK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
  • N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methylthio]acetamide
  • N-(2,4-dimethylphenyl)-2-[(5-keto-2-methyl-thiazolo[3,2-a]pyrimidin-7-yl)methylthio]acetamide
  • N-(2,4-dimethylphenyl)-2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]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
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0165 0.0338
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.2102 0.2102
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0732 0.5
Schistosoma mansoni hypothetical protein 0.0069 0.1205 0.2465
Loa Loa (eye worm) hypothetical protein 0.0069 0.1205 0.1205
Brugia malayi hypothetical protein 0.0034 0.0213 0.0213
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0732 0.5
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0165 0.0165
Schistosoma mansoni tar DNA-binding protein 0.02 0.4891 1
Echinococcus granulosus tar DNA binding protein 0.02 0.4891 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0165 0.0165
Echinococcus multilocularis tar DNA binding protein 0.02 0.4891 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0732 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0732 0.5
Leishmania major hypothetical protein, conserved 0.0052 0.0732 0.5
Schistosoma mansoni tar DNA-binding protein 0.02 0.4891 1
Loa Loa (eye worm) transcription factor SMAD2 0.0382 1 1
Brugia malayi TAR-binding protein 0.02 0.4891 0.4891
Loa Loa (eye worm) RNA binding protein 0.02 0.4891 0.4891
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.2102 0.2102
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0165 0.0165
Schistosoma mansoni tar DNA-binding protein 0.02 0.4891 1
Brugia malayi hypothetical protein 0.0052 0.0732 0.0732
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.2102 0.2102
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0165 0.0165
Loa Loa (eye worm) TAR-binding protein 0.02 0.4891 0.4891
Schistosoma mansoni hypothetical protein 0.0032 0.0165 0.0338
Schistosoma mansoni hypothetical protein 0.0032 0.0165 0.0338
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0165 0.0338
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0165 0.0338
Brugia malayi RNA recognition motif domain containing protein 0.02 0.4891 0.4891
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0732 0.5
Schistosoma mansoni hypothetical protein 0.0032 0.0165 0.0338
Schistosoma mansoni hypothetical protein 0.0032 0.0165 0.0338
Schistosoma mansoni tar DNA-binding protein 0.02 0.4891 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0732 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0165 0.0338
Echinococcus multilocularis GPCR, family 2 0.0032 0.0165 0.0338
Loa Loa (eye worm) MH2 domain-containing protein 0.0382 1 1
Schistosoma mansoni tar DNA-binding protein 0.02 0.4891 1
Echinococcus granulosus GPCR family 2 0.0032 0.0165 0.0338
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0732 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1205 0.1205
Loa Loa (eye worm) hypothetical protein 0.0101 0.2102 0.2102
Brugia malayi RNA binding protein 0.02 0.4891 0.4891
Loa Loa (eye worm) hypothetical protein 0.0052 0.0732 0.0732
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.02 0.4891 0.4891

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.

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