Detailed information for compound 35927

Basic information

Technical information
  • TDR Targets ID: 35927
  • Name: 1-(2-methylphenyl)pyrazolidin-3-one
  • MW: 176.215 | Formula: C10H12N2O
  • H donors: 1 H acceptors: 1 LogP: 1.63 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCN(N1)c1ccccc1C
  • InChi: 1S/C10H12N2O/c1-8-4-2-3-5-9(8)12-7-6-10(13)11-12/h2-5H,6-7H2,1H3,(H,11,13)
  • InChiKey: VQAMXXXBDNKODW-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(o-tolyl)pyrazolidin-3-one
  • 1-(o-tolyl)-3-pyrazolidinone
  • 1-(2-methylphenyl)-3-pyrazolidinone
  • Oprea1_493326
  • ZINC00270832

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 5-lipoxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482

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) hypothetical protein 0.0035 0.1332 0.8141
Echinococcus multilocularis Multi antimicrobial extrusion protein MatE 0.0068 0.3221 0.3221
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.1848 0.1848
Schistosoma mansoni hypothetical protein 0.0185 1 1
Echinococcus granulosus multidrug and toxin extrusion protein 2 0.0074 0.3594 0.3594
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0702 0.0702
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0702 0.0702
Leishmania major hypothetical protein, conserved 0.0074 0.3594 0.5
Brugia malayi Doublecortin family protein 0.0024 0.0702 0.4289
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.3594 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.3594 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.1848 0.1848
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0037 0.1485 0.5
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0702 0.0702
Echinococcus granulosus RUN 0.0024 0.0702 0.0702
Trypanosoma brucei membrane transporter protein, putative 0.0074 0.3594 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.3594 0.5
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0702 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.004 0.1636 0.1636
Schistosoma mansoni loxhd1 0.0024 0.0702 0.0702
Schistosoma mansoni multidrug resistance protein 0.0074 0.3594 0.3594
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.3594 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0702 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.004 0.1636 1
Trypanosoma brucei MATE efflux family protein, putative 0.0074 0.3594 0.5
Schistosoma mansoni polycystin 1-related 0.0024 0.0702 0.0702
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0702 0.0702
Schistosoma mansoni rab6-interacting 0.0024 0.0702 0.0702
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.7523 0.7523
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0702 0.4289
Leishmania major hypothetical protein, conserved 0.0074 0.3594 0.5
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0702 0.0702
Brugia malayi hypothetical protein 0.0024 0.0702 0.4289
Schistosoma mansoni lipoxygenase 0.0142 0.7523 0.7523
Loa Loa (eye worm) hypothetical protein 0.0024 0.0702 0.4289
Loa Loa (eye worm) hypothetical protein 0.0024 0.0702 0.4289
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0702 0.0702
Schistosoma mansoni hypothetical protein 0.0024 0.0702 0.0702
Echinococcus multilocularis multidrug and toxin extrusion protein 2 0.0074 0.3594 0.3594
Schistosoma mansoni lipoxygenase 0.01 0.5059 0.5059
Schistosoma mansoni hypothetical protein 0.0185 1 1
Brugia malayi hypothetical protein 0.0024 0.0702 0.4289
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.004 0.1636 1
Schistosoma mansoni rab6-interacting 0.0024 0.0702 0.0702
Trypanosoma cruzi membrane transporter protein, putative 0.0074 0.3594 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0037 0.1485 0.5
Echinococcus multilocularis RUN 0.0024 0.0702 0.0702
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.004 0.1636 0.1636
Trypanosoma brucei membrane transporter protein, putative 0.0074 0.3594 0.5
Onchocerca volvulus 0.0024 0.0702 0.5
Trypanosoma brucei membrane transporter protein, putative 0.0074 0.3594 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.7523 0.7523
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.3594 0.5
Echinococcus multilocularis geminin 0.0185 1 1
Onchocerca volvulus 0.0024 0.0702 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.2 uM Inhibitory activity against 5-lipoxygenase. ChEMBL. No reference
IC50 (binding) = 8.2 uM Inhibitory activity against 5-lipoxygenase. 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.

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