Detailed information for compound 1546947

Basic information

Technical information
  • TDR Targets ID: 1546947
  • Name: 4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[ 3,2-c]pyridine
  • MW: 245.34 | Formula: C14H15NOS
  • H donors: 1 H acceptors: 0 LogP: 2.71 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1NCCc2c1ccs2
  • InChi: 1S/C14H15NOS/c1-16-11-4-2-10(3-5-11)14-12-7-9-17-13(12)6-8-15-14/h2-5,7,9,14-15H,6,8H2,1H3
  • InChiKey: YZMKEDMYYJQGRD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000763669
  • SMR000337261
  • Oprea1_141815
  • 6X-0843
  • Maybridge1_007384

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 DNA polymerase kappa, putative 0.0039 0.0094 0.043
Echinococcus granulosus dna polymerase eta 0.0064 0.0236 0.2858
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.1298 0.7146 1
Leishmania major trypanothione reductase 0.0047 0.0142 0.3694
Loa Loa (eye worm) hypothetical protein 0.0171 0.0837 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0108 0.0482 0.055
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0042 0.0113 0.9455
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0142 0.1699
Trypanosoma brucei unspecified product 0.0039 0.0094 0.3199
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0094 0.043
Echinococcus granulosus dna polymerase kappa 0.0039 0.0094 0.1131
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0042 0.0113 1
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0042 0.0113 1
Plasmodium falciparum thioredoxin reductase 0.0047 0.0142 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.0094 0.1131
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.0094 0.1131
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.0094 0.1118
Giardia lamblia Myb 1-like protein 0.0042 0.0114 1
Trichomonas vaginalis MYB3r3, putative 0.0042 0.0113 0.9455
Trichomonas vaginalis pc-MYB2, putative 0.0042 0.0113 0.9455
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0142 0.0069
Schistosoma mansoni DNA polymerase eta 0.0064 0.0236 0.2858
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0509 0.2731 1
Leishmania major DNA polymerase kappa, putative 0.0039 0.0094 0.043
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0094 0.3199
Trichomonas vaginalis pc-MYB2, putative 0.0042 0.0113 0.9455
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0546 0.6529
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0094 0.3199
Echinococcus multilocularis dna polymerase kappa 0.0039 0.0094 0.1131
Loa Loa (eye worm) glutathione reductase 0.0047 0.0142 0.1699
Echinococcus multilocularis dna polymerase eta 0.0064 0.0236 0.2858
Trichomonas vaginalis MYB, putative 0.0042 0.0114 1
Plasmodium vivax glutathione reductase, putative 0.0047 0.0142 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.012 0.0549 0.0646
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0042 0.0113 0.9455
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0094 0.3199
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1807 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0064 0.0236 1
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0094 0.3199
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0094 0.3199
Plasmodium falciparum glutathione reductase 0.0047 0.0142 0.5
Trypanosoma brucei trypanothione reductase 0.0047 0.0142 0.5518
Trichomonas vaginalis C-MYB, putative 0.0042 0.0113 0.9455
Toxoplasma gondii thioredoxin reductase 0.0047 0.0142 0.0208
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0509 0.2731 0.2662
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0094 0.043
Toxoplasma gondii Myb family DNA-binding domain-containing protein 0.0042 0.0114 0.0102
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0094 0.3199
Brugia malayi Thioredoxin reductase 0.0047 0.0142 0.1699
Trichomonas vaginalis MYB72, putative 0.0042 0.0113 0.9455
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1807 1 0.5
Schistosoma mansoni hypothetical protein 0.017 0.0827 1
Brugia malayi hypothetical protein 0.0171 0.0837 1
Mycobacterium tuberculosis Probable reductase 0.0108 0.0482 0.055
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0509 0.2731 0.3375
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.0094 0.1131
Brugia malayi MH2 domain containing protein 0.0119 0.0546 0.6529
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0108 0.0482 0.055
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0042 0.0113 0.9455
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0108 0.0482 0.055
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0094 0.3199
Leishmania major DNA polymerase eta, putative 0.0064 0.0236 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.0094 0.1131
Mycobacterium tuberculosis Probable oxidoreductase 0.012 0.0549 0.0646
Echinococcus multilocularis geminin 0.017 0.0827 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.0094 0.043
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0042 0.0114 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0094 0.043
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0142 0.3694
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0094 0.3199
Brugia malayi glutathione reductase 0.0047 0.0142 0.1699
Brugia malayi ImpB/MucB/SamB family protein 0.0064 0.0236 0.2824
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0094 0.3199
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0094 0.3199
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0042 0.0113 0.9455
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0042 0.0113 0.9455
Trichomonas vaginalis C-MYB, putative 0.0042 0.0113 0.9455
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0108 0.0482 0.055
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0094 0.3199
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0108 0.0482 0.055
Trypanosoma cruzi DNA polymerase eta, putative 0.0064 0.0236 1
Schistosoma mansoni hypothetical protein 0.017 0.0827 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0142 0.172
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.012 0.0549 0.0646
Loa Loa (eye worm) hypothetical protein 0.0064 0.0236 0.2824
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.1298 0.7146 1
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1807 1 0.5
Onchocerca volvulus 0.0171 0.0837 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0094 0.3199
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0042 0.0113 1
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0042 0.0113 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0042 0.0114 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0094 0.3199
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0042 0.0113 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0042 0.0113 0.9455
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0142 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.012 0.0549 0.0101
Echinococcus granulosus geminin 0.017 0.0827 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0142 0.172
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0094 0.1118
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0546 0.6529

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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

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.

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