Detailed information for compound 15552

Basic information

Technical information
  • TDR Targets ID: 15552
  • Name: [6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-t hieno[2,3-c]pyridin-2-yl]methanol
  • MW: 273.393 | Formula: C16H19NOS
  • H donors: 1 H acceptors: 1 LogP: 2.48 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1sc2c(c1)C(CN(C2)C)c1ccc(cc1)C
  • InChi: 1S/C16H19NOS/c1-11-3-5-12(6-4-11)15-8-17(2)9-16-14(15)7-13(10-18)19-16/h3-7,15,18H,8-10H2,1-2H3
  • InChiKey: MVYKGQMMYKOAQO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [6-methyl-4-(p-tolyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanol
  • [6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[4,5-d]pyridin-2-yl]methanol

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 brucei protein kinase, putative 0.005 0.0029 0.5
Brugia malayi intermediate filament protein 0.0054 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0134 0.065 0.065
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0126 0.0589 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0924 0.5745
Echinococcus granulosus lamin 0.0054 0.0056 0.0105
Loa Loa (eye worm) hypothetical protein 0.0061 0.011 0.011
Toxoplasma gondii aldehyde dehydrogenase 0.0126 0.0589 0.9012
Echinococcus granulosus lamin dm0 0.0054 0.0056 0.0105
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.0993 0.6182
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0056 0.0056
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.0589 0.5
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0061 0.011 0.1304
Loa Loa (eye worm) hypothetical protein 0.0151 0.0773 0.0773
Brugia malayi hypoxia-induced factor 1 0.0148 0.0753 0.0753
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0011 0.0011
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0261 0.1588 0.1588
Schistosoma mansoni organic anion transporter 0.0134 0.065 0.2828
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0134 0.065 0.065
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.1588 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.065 0.065
Schistosoma mansoni single-minded 0.0048 0.0012 0.0051
Brugia malayi Calcitonin receptor-like protein seb-1 0.0151 0.0773 0.0773
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.1588 1
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.1588 1
Brugia malayi hypothetical protein 0.016 0.0845 0.0845
Loa Loa (eye worm) hypothetical protein 0.0134 0.065 0.065
Echinococcus multilocularis GPCR, family 2 0.0048 0.0011 0.0021
Onchocerca volvulus Putative organic anion transporter 0.1398 1 1
Trypanosoma cruzi MFS transporter, putative 0.0134 0.065 1
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0029 0.0054
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0011 0.0021
Onchocerca volvulus 0.0473 0.3159 0.3121
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0029 0.0054
Echinococcus multilocularis lamin 0.0054 0.0056 0.0105
Onchocerca volvulus Putative organic anion transporter 0.0134 0.065 0.0597
Schistosoma mansoni organic anion transporter 0.0134 0.065 0.2828
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0134 0.065 0.1226
Loa Loa (eye worm) hypothetical protein 0.0134 0.065 0.065
Schistosoma mansoni lamin 0.0054 0.0056 0.0243
Schistosoma mansoni agrin 0.0061 0.011 0.0477
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0261 0.1588 0.1588
Onchocerca volvulus 0.0134 0.065 0.0597
Loa Loa (eye worm) hypothetical protein 0.0054 0.0056 0.0056
Schistosoma mansoni lamin 0.0054 0.0056 0.0243
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0126 0.0589 0.111
Echinococcus granulosus Solute carrier organic anion transporter family 0.0134 0.065 0.1226
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0029 0.0054
Echinococcus multilocularis follistatin 0.0061 0.011 0.0207
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.1588 1
Echinococcus granulosus geminin 0.0341 0.2181 0.4114
Brugia malayi follicle stimulating hormone receptor 0.0258 0.1565 0.1565
Loa Loa (eye worm) hypothetical protein 0.0351 0.2256 0.2256
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0029 0.5
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0061 0.011 0.011
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0134 0.065 0.1226
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0061 0.011 0.1304
Brugia malayi hypothetical protein 0.0473 0.3159 0.3159
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0924 0.5745
Loa Loa (eye worm) hypoxia-induced factor 1 0.0148 0.0753 0.0753
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0151 0.0773 0.0773
Echinococcus granulosus expressed protein 0.0763 0.5302 1
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0924 0.5745
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.1588 1
Echinococcus multilocularis expressed protein 0.0061 0.011 0.0207
Onchocerca volvulus Glucosylceramidase homolog 0.0171 0.0924 0.0874
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.042 0.042
Onchocerca volvulus 0.0134 0.065 0.0597
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0011 0.0011
Echinococcus granulosus intermediate filament protein 0.0054 0.0056 0.0105
Echinococcus multilocularis expressed protein 0.0763 0.5302 1
Onchocerca volvulus 0.0134 0.065 0.0597
Loa Loa (eye worm) hypothetical protein 0.0473 0.3159 0.3159
Loa Loa (eye worm) hypothetical protein 0.1398 1 1
Schistosoma mansoni hypothetical protein 0.0341 0.2181 0.9493
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0357 0.2298 1
Schistosoma mansoni follistatin 0.0061 0.011 0.0477
Echinococcus multilocularis lamin dm0 0.0054 0.0056 0.0105
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0029 0.5
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0061 0.011 0.011
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0056 0.0056
Toxoplasma gondii protease inhibitor PI2 0.0061 0.011 0.1304
Schistosoma mansoni high-affinity choline transporter 0.0351 0.2256 0.9817
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.1588 1
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0924 0.5745
Loa Loa (eye worm) agrin synaptic family protein 0.0061 0.011 0.011
Onchocerca volvulus 0.0134 0.065 0.0597
Loa Loa (eye worm) hypothetical protein 0.0061 0.011 0.011
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0061 0.011 0.011
Echinococcus granulosus high affinity choline transporter 1 0.0351 0.2256 0.4254
Schistosoma mansoni aldehyde dehydrogenase 0.0126 0.0589 0.2561
Echinococcus granulosus agrin 0.0061 0.011 0.0207
Brugia malayi PAS domain containing protein 0.0048 0.0012 0.0012
Brugia malayi sodium-independent organic anion transporter family protein 0.0134 0.065 0.065
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0011 0.0021
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.0589 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.0011 0.0011
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0056 0.0056
Brugia malayi GH02984p 0.0351 0.2256 0.2256
Brugia malayi MAP kinase sur-1 0.005 0.0029 0.0029
Brugia malayi SPARC precursor 0.0061 0.011 0.011
Loa Loa (eye worm) runx1 0.0059 0.0097 0.0097
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0258 0.1565 0.1565
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0126 0.0589 0.111
Schistosoma mansoni hypothetical protein 0.0048 0.0011 0.0048
Brugia malayi hypothetical protein 0.0134 0.065 0.065
Loa Loa (eye worm) hypothetical protein 0.0103 0.042 0.042
Schistosoma mansoni intermediate filament proteins 0.0054 0.0056 0.0243
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0924 0.5745
Echinococcus granulosus GPCR family 2 0.0048 0.0011 0.0021
Brugia malayi secreted modular calcium-binding protein 1 0.0061 0.011 0.011
Schistosoma mansoni hypothetical protein 0.0048 0.0011 0.0048
Schistosoma mansoni hypothetical protein 0.0103 0.042 0.1829
Echinococcus multilocularis Protein lozenge 0.0059 0.0097 0.0184
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0151 0.0773 0.0773
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0061 0.011 0.1304
Echinococcus multilocularis high affinity choline transporter 1 0.0351 0.2256 0.4254
Echinococcus multilocularis musashi 0.0054 0.0056 0.0105
Onchocerca volvulus Putative organic anion transporter 0.0134 0.065 0.0597
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0061 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0473 0.3159 0.3159
Schistosoma mansoni hypothetical protein 0.0341 0.2181 0.9493
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0061 0.011 0.011
Toxoplasma gondii transporter, major facilitator family protein 0.0134 0.065 1
Onchocerca volvulus 0.0134 0.065 0.0597
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0134 0.065 0.1226
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0029 0.0054
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0061 0.011 0.011
Schistosoma mansoni hypothetical protein 0.0048 0.0011 0.0048
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0924 0.5745
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0126 0.0589 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0011 0.0021
Loa Loa (eye worm) hypothetical protein 0.016 0.0845 0.0845
Brugia malayi hypothetical protein 0.0134 0.065 0.065
Echinococcus multilocularis agrin 0.0061 0.011 0.0207
Schistosoma mansoni aryl hydrocarbon receptor 0.0048 0.0012 0.0051
Schistosoma mansoni aldehyde dehydrogenase 0.0126 0.0589 0.2561
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0061 0.011 0.1304
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.0924 0.5745
Loa Loa (eye worm) hypothetical protein 0.0061 0.011 0.011
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.0589 0.5
Echinococcus granulosus follistatin 0.0061 0.011 0.0207
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0011 0.0021
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0029 0.0124
Loa Loa (eye worm) hypothetical protein 0.0053 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0134 0.065 0.065
Loa Loa (eye worm) hypothetical protein 0.0134 0.065 0.065
Schistosoma mansoni hypothetical protein 0.0048 0.0011 0.0048
Brugia malayi sodium-independent organic anion transporter family protein 0.0134 0.065 0.065
Trichomonas vaginalis glucosylceramidase, putative 0.018 0.0993 0.6182
Onchocerca volvulus 0.0061 0.011 0.0054
Brugia malayi sodium-independent organic anion transporter family protein 0.0134 0.065 0.065
Schistosoma mansoni lozenge 0.0059 0.0097 0.0424
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0029 0.0029
Echinococcus multilocularis geminin 0.0341 0.2181 0.4114

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.7 mg kg-1 Anti-tetrabenazine (TBZ) activity, ability to prevent TBZ-induced ptosis in mice ChEMBL. 6471069
IC50 (functional) = 0.05 uM In vitro inhibition of norepinephrine uptake in rat brain synaptosomes using [3H]-NE ChEMBL. 6471069
IC50 (functional) = 1.2 uM In vitro inhibition of 5-HT uptake in rat brain synaptosomes using [3H]- 5-hydroxytryptamine ChEMBL. 6471069

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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