Detailed information for compound 179057

Basic information

Technical information
  • TDR Targets ID: 179057
  • Name: 1-[4-(3,4-dihydroxyphenyl)-3,6-dihydro-2H-pyr idin-1-yl]ethanone
  • MW: 233.263 | Formula: C13H15NO3
  • H donors: 2 H acceptors: 3 LogP: 0.88 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N1CCC(=CC1)c1ccc(c(c1)O)O
  • InChi: 1S/C13H15NO3/c1-9(15)14-6-4-10(5-7-14)11-2-3-12(16)13(17)8-11/h2-4,8,16-17H,5-7H2,1H3
  • InChiKey: UMFUUSYHSYHHNV-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1,2,3,6-Tetrahydropyridine, 1-acetyl-4-[4,5-dihydroxyphenyl]-
  • 4-(1-Acetyl-1,2,3,6-tetrahydro-4-pyridinyl)-1,2-benzenediol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens quinoid dihydropteridine reductase Starlite/ChEMBL References
Rattus norvegicus Dihydropteridine reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis quinonoid dihydropteridine reductase Get druggable targets OG5_131023 All targets in OG5_131023
Leishmania infantum quinonoid dihydropteridine reductase Get druggable targets OG5_131023 All targets in OG5_131023
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative Get druggable targets OG5_131023 All targets in OG5_131023
Echinococcus granulosus NADP binding domain Get druggable targets OG5_131023 All targets in OG5_131023
Leishmania major quinonoid dihydropteridine reductase Get druggable targets OG5_131023 All targets in OG5_131023
Neospora caninum Novel protein similar to quinoid dihydropteridine reductase (QDPR, zgc:112405), related Get druggable targets OG5_131023 All targets in OG5_131023
Schistosoma mansoni dihydropteridine reductase Get druggable targets OG5_131023 All targets in OG5_131023
Loa Loa (eye worm) dihydropteridine reductase-PC Get druggable targets OG5_131023 All targets in OG5_131023
Leishmania major quinonoid dihydropteridine reductase Get druggable targets OG5_131023 All targets in OG5_131023
Leishmania major quinonoid dihydropteridine reductase Get druggable targets OG5_131023 All targets in OG5_131023
Leishmania major quinonoid dihydropteridine reductase Get druggable targets OG5_131023 All targets in OG5_131023
Toxoplasma gondii 6,7-dihydropteridine reductase Get druggable targets OG5_131023 All targets in OG5_131023
Leishmania mexicana quinonoid dihydropteridine reductase Get druggable targets OG5_131023 All targets in OG5_131023
Leishmania major quinonoid dihydropteridine reductase Get druggable targets OG5_131023 All targets in OG5_131023
Leishmania major quinonoid dihydropteridine reductase Get druggable targets OG5_131023 All targets in OG5_131023
Leishmania donovani hypothetical protein, conserved Get druggable targets OG5_131023 All targets in OG5_131023
Schistosoma japonicum ko:K00357 dihydropteridine reductase [EC1.5.1.34], putative Get druggable targets OG5_131023 All targets in OG5_131023
Echinococcus multilocularis NAD(P) binding domain Get druggable targets OG5_131023 All targets in OG5_131023
Brugia malayi dihydropteridine reductase-like Get druggable targets OG5_131023 All targets in OG5_131023
Leishmania major quinonoid dihydropteridine reductase Get druggable targets OG5_131023 All targets in OG5_131023

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Dihydropteridine reductase   241 aa 229 aa 24.9 %
Mycobacterium tuberculosis Probable short-chain type oxidoreductase quinoid dihydropteridine reductase 244 aa 248 aa 25.4 %
Loa Loa (eye worm) hypothetical protein Dihydropteridine reductase   241 aa 216 aa 25.0 %
Drosophila melanogaster CG4842 gene product from transcript CG4842-RA Dihydropteridine reductase   241 aa 203 aa 22.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Leishmania major quinonoid dihydropteridine reductase 0.0202 0.4841 1
Toxoplasma gondii 6,7-dihydropteridine reductase 0.0192 0.458 1
Loa Loa (eye worm) dihydropteridine reductase-PC 0.0192 0.458 1
Schistosoma mansoni dihydropteridine reductase 0.0192 0.458 1
Schistosoma mansoni cellular tumor antigen P53 0.0056 0.0776 0.0303
Loa Loa (eye worm) hypothetical protein 0.0056 0.0776 0.1693
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0657 0.1434
Leishmania major quinonoid dihydropteridine reductase 0.0202 0.4841 1
Leishmania major quinonoid dihydropteridine reductase 0.0202 0.4841 1
Leishmania major quinonoid dihydropteridine reductase 0.0202 0.4841 1
Leishmania major quinonoid dihydropteridine reductase 0.0202 0.4841 1
Echinococcus granulosus NADP binding domain 0.0192 0.458 0.4199
Echinococcus multilocularis tumor protein p63 0.0386 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0 0.5
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0202 0.4841 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0202 0.4841 1
Onchocerca volvulus 0.0056 0.0776 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0202 0.4841 1
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0 0.5
Brugia malayi dihydropteridine reductase-like 0.0192 0.458 1
Echinococcus multilocularis NAD(P) binding domain 0.0192 0.458 0.4199
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0657 0.1434

Activities

Activity type Activity value Assay description Source Reference
I50 (binding) = 0.00000025 M Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase ChEMBL. 3871859
I50 (binding) = 0.00000028 M Inhibitory activity against human liver Dihydrodipicolinate reductase ChEMBL. 3871859
IC50 (binding) = 0.00000025 M Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reductase ChEMBL. 3871859
IC50 (binding) = 0.00000028 M Inhibitory activity against human liver Dihydrodipicolinate reductase ChEMBL. 3871859

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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