Detailed information for compound 1326283

Basic information

Technical information
  • TDR Targets ID: 1326283
  • Name: 7-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl) sulfanylmethyl]-[1,3]thiazolo[2,3-b]pyrimidin -5-one
  • MW: 394.473 | Formula: C18H14N6OS2
  • H donors: 0 H acceptors: 4 LogP: 1.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c2ccccc2c2c1nc(SCc1cc(=O)n3c(n1)scc3)nn2
  • InChi: 1S/C18H14N6OS2/c1-2-23-13-6-4-3-5-12(13)15-16(23)20-17(22-21-15)27-10-11-9-14(25)24-7-8-26-18(24)19-11/h3-9H,2,10H2,1H3
  • InChiKey: LYNKIXXNSUSILQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 7-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]thiazolo[2,3-b]pyrimidin-5-one
  • 7-[[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-5-thiazolo[2,3-b]pyrimidinone
  • 7-[[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]thiazolo[2,3-b]pyrimidin-5-one
  • T5410094
  • ZINC03383866
  • MLS000056495
  • SMR000068892

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens CREB binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04498 E1A/CREB-binding protein, putative Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma japonicum Protein cbp-1, putative Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma japonicum CREB-binding protein, putative Get druggable targets OG5_129174 All targets in OG5_129174
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Brugia malayi TAZ zinc finger family protein Get druggable targets OG5_129174 All targets in OG5_129174
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma japonicum IPR011071,Polysaccharide lyase family 8-like, C-terminal,domain-containing Get druggable targets OG5_129174 All targets in OG5_129174
Loa Loa (eye worm) CBP-B Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma mansoni CREB-binding protein 2 Get druggable targets OG5_129174 All targets in OG5_129174

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
Loa Loa (eye worm) hypothetical protein 0.0097 0.2137 1
Toxoplasma gondii PAN domain-containing protein 0.0317 1 1
Giardia lamblia High cysteine protein 0.0037 0 0.5
Toxoplasma gondii calcium binding egf domain-containing protein 0.0097 0.2137 0.2137
Loa Loa (eye worm) CBP-B 0.0085 0.172 0.8046
Toxoplasma gondii calcium binding egf domain-containing protein 0.0097 0.2137 0.2137
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0097 0.2137 0.6993
Echinococcus granulosus CREB binding protein 0.0122 0.3056 1
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0097 0.2137 1
Echinococcus granulosus Tolloid protein 1 0.0097 0.2137 0.6993
Schistosoma mansoni CREB-binding protein 2 0.0122 0.3056 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.2137 1
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0097 0.2137 0.6993
Echinococcus granulosus laminin 0.0097 0.2137 0.6993
Echinococcus multilocularis Tolloid protein 1 0.0097 0.2137 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.2137 1
Schistosoma mansoni egf-like domain protein 0.0097 0.2137 0.6993
Loa Loa (eye worm) hypothetical protein 0.0097 0.2137 1
Echinococcus multilocularis laminin 0.0097 0.2137 1
Brugia malayi Calcium binding EGF domain containing protein 0.0097 0.2137 0.6993
Echinococcus multilocularis fibrillin 1 0.0097 0.2137 1
Echinococcus multilocularis CREB binding protein 0.0084 0.1682 0.7868
Echinococcus granulosus CREB binding protein 0.0075 0.138 0.4514
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0097 0.2137 1
Onchocerca volvulus Arrow homolog 0.0097 0.2137 1
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0097 0.2137 1
Brugia malayi TAZ zinc finger family protein 0.0122 0.3056 1
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0122 0.3056 1
Brugia malayi Fibulin-1 precursor 0.0097 0.2137 0.6993
Loa Loa (eye worm) hypothetical protein 0.0097 0.2137 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0735 0.344

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: Confirmation Concentration-Response Assay for Cell signaling CRE-BLA (Fsk stim). (Class of assay: confirmatory) [Related pubchem assays: 662 ] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: Confirmation Concentration-Response Assay for Cell signaling CRE-BLA (Fsk stim) - HEK293 CREB Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 662 ] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: Cell Viability - CRE-beta lactamase CHO cell - 40 hr assay. (Class of assay: confirmatory) [Related pubchem assays: 662 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

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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