Detailed information for compound 871572

Basic information

Technical information
  • TDR Targets ID: 871572
  • Name: 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)thie no[5,4-b]pyridine-2-carboxamide
  • MW: 339.411 | Formula: C18H17N3O2S
  • H donors: 2 H acceptors: 2 LogP: 3.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1cc(nc2c1c(N)c(s2)C(=O)N)C1CC1
  • InChi: 1S/C18H17N3O2S/c1-23-11-6-4-9(5-7-11)12-8-13(10-2-3-10)21-18-14(12)15(19)16(24-18)17(20)22/h4-8,10H,2-3,19H2,1H3,(H2,20,22)
  • InChiKey: DEMDJSAVMFQUNL-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-amino-6-cyclopropyl-4-(4-methoxyphenyl)-2-thieno[5,4-b]pyridinecarboxamide
  • Oprea1_683711
  • IFLab1_003262
  • ZINC00067489

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
Trypanosoma cruzi histone deacetylase 1, putative 0.0691 1 1
Echinococcus multilocularis histone deacetylase 1 0.0691 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0148 0.162 0.162
Trypanosoma brucei histone deacetylase, putative 0.0282 0.3685 0.1184
Loa Loa (eye worm) hypothetical protein 0.0227 0.2836 0.2836
Schistosoma mansoni histone deacetylase 4 5 0.0282 0.3685 0.3685
Echinococcus multilocularis histone deacetylase 6 0.0288 0.3778 0.3778
Echinococcus granulosus histone deacetylase 0.0282 0.3685 0.3685
Echinococcus multilocularis histone deacetylase 3 0.0691 1 1
Onchocerca volvulus Histone deacetylase 10 homolog 0.0227 0.2836 0.5
Plasmodium vivax histone deacetylase, putative 0.0282 0.3685 0.1184
Echinococcus granulosus histone deacetylase 1 0.0691 1 1
Brugia malayi Histone deacetylase family protein 0.0282 0.3685 0.3685
Trypanosoma cruzi histone deacetylase, putative 0.0282 0.3685 0.1184
Plasmodium falciparum histone deacetylase 1 0.0691 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0282 0.3685 0.3685
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0148 0.162 0.162
Loa Loa (eye worm) histone deacetylase 1 0.0691 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0161 0.183 0.183
Plasmodium vivax histone deacetylase 2, putative 0.0282 0.3685 0.1184
Toxoplasma gondii histone deacetylase HDAC2 0.0691 1 1
Echinococcus multilocularis histone deacetylase 8 0.0227 0.2836 0.2836
Trichomonas vaginalis histone deacetylase, putative 0.0691 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0188 0.0188
Plasmodium vivax histone deacetylase 1, putative 0.0691 1 1
Echinococcus granulosus histone deacetylase 6 0.0288 0.3778 0.3778
Trichomonas vaginalis histone deacetylase, putative 0.0691 1 1
Trypanosoma cruzi histone deacetylase, putative 0.0282 0.3685 0.1184
Loa Loa (eye worm) hypothetical protein 0.0128 0.1319 0.1319
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0148 0.162 0.162
Schistosoma mansoni histone deacetylase hda2 0.0227 0.2836 0.2836
Loa Loa (eye worm) hypothetical protein 0.0691 1 1
Giardia lamblia Histone deacetylase 0.0691 1 0.5
Leishmania major histone deacetylase, putative 0.0691 1 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0691 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0691 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0691 1 1
Echinococcus granulosus histone deacetylase 6 0.0282 0.3685 0.3685
Brugia malayi histone deacetylase 11 0.0227 0.2836 0.2836
Trypanosoma brucei histone deacetylase 3 0.0282 0.3685 0.1184
Loa Loa (eye worm) histone deacetylase 3 0.0691 1 1
Echinococcus granulosus histone deacetylase 7 0.0282 0.3685 0.3685
Schistosoma mansoni histone deacetylase 0.0691 1 1
Trypanosoma brucei histone deacetylase 4 0.0282 0.3685 0.1184
Loa Loa (eye worm) hypothetical protein 0.0061 0.028 0.028
Echinococcus multilocularis histone deacetylase 6 0.0282 0.3685 0.3685
Echinococcus multilocularis histone deacetylase 6 0.0282 0.3685 0.3685
Schistosoma mansoni histone deacetylase 1 2 3 0.0227 0.2836 0.2836
Leishmania major histone deacetylase, putative 0.0691 1 1
Schistosoma mansoni histone deacetylase 0.0691 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0161 0.183 0.183
Echinococcus granulosus histone deacetylase 8 0.0227 0.2836 0.2836
Brugia malayi Histone deacetylase 1 0.0691 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0691 1 1
Brugia malayi Histone deacetylase family protein 0.0282 0.3685 0.3685
Trypanosoma brucei histone deacetylase 1 0.0691 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0691 1 1
Echinococcus multilocularis histone deacetylase 7 0.0282 0.3685 0.3685
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0691 1 1
Toxoplasma gondii histone deacetylase HDAC1 0.0282 0.3685 0.1184
Echinococcus granulosus histone deacetylase 6 0.0282 0.3685 0.3685
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0148 0.162 0.162
Toxoplasma gondii histone deacetylase HDAC3 0.0691 1 1
Entamoeba histolytica histone deacetylase, putative 0.0691 1 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0282 0.3685 0.1184
Brugia malayi histone deacetylase 1 (HD1) 0.0691 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0691 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0691 1 1
Echinococcus granulosus histone deacetylase 3 0.0691 1 1
Echinococcus multilocularis histone deacetylase 0.0282 0.3685 0.3685
Loa Loa (eye worm) histone deacetylase 11 0.0227 0.2836 0.2836
Schistosoma mansoni histone deacetylase hda2 0.0288 0.3778 0.3778
Loa Loa (eye worm) histone deacetylase 0.0282 0.3685 0.3685
Loa Loa (eye worm) histone deacetylase 7A 0.0282 0.3685 0.3685

Activities

No activities found for this compound.

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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