Detailed information for compound 1067829

Basic information

Technical information
  • TDR Targets ID: 1067829
  • Name: 3-amino-4-propoxythieno[5,4-b]pyridine-2-carb oxamide
  • MW: 251.305 | Formula: C11H13N3O2S
  • H donors: 2 H acceptors: 2 LogP: 2.15 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOc1ccnc2c1c(N)c(s2)C(=O)N
  • InChi: 1S/C11H13N3O2S/c1-2-5-16-6-3-4-14-11-7(6)8(12)9(17-11)10(13)15/h3-4H,2,5,12H2,1H3,(H2,13,15)
  • InChiKey: RNYNXHANHXEZSD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-amino-4-propoxy-thieno[5,4-b]pyridine-2-carboxamide
  • 3-amino-4-propoxy-2-thieno[5,4-b]pyridinecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase beta Starlite/ChEMBL References

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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.2313 0.661
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.2313 0.6904
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0451 0.0526
Schistosoma mansoni hypothetical protein 0.007 0.1589 0.1191
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.2313 0.195
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.3351 1
Brugia malayi MH2 domain containing protein 0.0129 0.3351 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.029 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0451 0.1347
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.029 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.2313 0.195
Loa Loa (eye worm) hypothetical protein 0.007 0.1589 0.4242
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.2569 0.7445
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.029 0.5
Brugia malayi hypothetical protein 0.0027 0.029 0.0866
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.2313 0.195
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.2313 0.195
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.029 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.029 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.1589 0.4741
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.2569 0.7666
Loa Loa (eye worm) hypothetical protein 0.0032 0.0451 0.0526
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.2313 0.195
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.029 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.029 0.5
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0451 0.1347
Leishmania major hypothetical protein, conserved 0.0027 0.029 0.5
Loa Loa (eye worm) hypothetical protein 0.0103 0.2569 0.7445
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.2313 0.195
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.2569 0.7666
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.3351 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.2313 0.195

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.2 uM Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay ChEMBL. 19716697

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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