Detailed information for compound 906709

Basic information

Technical information
  • TDR Targets ID: 906709
  • Name: 3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5,5-d imethylimidazolidine-2,4-dione
  • MW: 292.33 | Formula: C15H20N2O4
  • H donors: 2 H acceptors: 3 LogP: 1.14 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN1C(=O)NC(C1=O)(C)C)COc1ccc(cc1)C
  • InChi: 1S/C15H20N2O4/c1-10-4-6-12(7-5-10)21-9-11(18)8-17-13(19)15(2,3)16-14(17)20/h4-7,11,18H,8-9H2,1-3H3,(H,16,20)
  • InChiKey: ZTBZAIAMBBWLIC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5,5-dimethyl-imidazolidine-2,4-dione
  • 3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5,5-dimethyl-hydantoin
  • MLS000527349
  • SMR000117823
  • IDI1_020366
  • STOCK1S-76411
  • Oprea1_142316
  • ChemDiv3_001400
  • BAS 01812658
  • 3-(2-Hydroxy-3-p-tolyloxy-propyl)-5,5-dimethyl-imidazolidine-2,4-dione
  • Oprea1_444998

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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
Leishmania major cathepsin L-like protease 0.0056 0.086 0.0437
Leishmania major cathepsin L-like protease 0.0056 0.086 0.0437
Onchocerca volvulus Cathepsin L homolog 0.0056 0.086 0.8893
Leishmania major cathepsin L-like protease 0.0056 0.086 0.0437
Brugia malayi beta-tubulin, identical 0.0054 0.0777 0.0777
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.086 0.3201
Brugia malayi Cathepsin L-like precursor 0.0056 0.086 0.086
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.086 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.086 0.3201
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.086 0.3201
Echinococcus multilocularis tubulin beta 1 chain 0.0054 0.0777 0.0777
Echinococcus granulosus cathepsin b 0.0301 1 1
Schistosoma mansoni tubulin subunit beta 0.0054 0.0777 0.0777
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0105 0.2688 0.2688
Echinococcus granulosus Tubulin beta 2C chain 0.0054 0.0777 0.0777
Loa Loa (eye worm) cathepsin B 0.0105 0.2688 0.2482
Echinococcus multilocularis Tubulin beta 2C chain 0.0054 0.0777 0.0777
Onchocerca volvulus Cathepsin F homolog 0.0056 0.086 0.8893
Echinococcus granulosus beta tubulin 0.0054 0.0777 0.0777
Brugia malayi Cathepsin L-like precursor 0.0056 0.086 0.086
Loa Loa (eye worm) hypothetical protein 0.0286 0.942 0.9404
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.086 0.3201
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0933 0.0933
Loa Loa (eye worm) tubulin beta-1 chain 0.0054 0.0777 0.0517
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.086 0.3201
Trypanosoma cruzi cysteine peptidase, putative 0.0056 0.086 0.086
Echinococcus multilocularis cysteine protease 0.0056 0.086 0.086
Echinococcus granulosus tubulin beta 1 chain 0.0054 0.0777 0.0777
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.086 0.3201
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0054 0.0777 0.0777
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.942 0.942
Trypanosoma brucei beta tubulin 0.0054 0.0777 0.289
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0056 0.086 0.0603
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.086 0.3201
Echinococcus multilocularis Tubulin beta 2C chain 0.0054 0.0777 0.0777
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.086 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0056 0.086 0.3201
Schistosoma mansoni cathepsin F (C01 family) 0.0041 0.0274 0.0274
Schistosoma mansoni cathepsin F (C01 family) 0.0056 0.086 0.086
Echinococcus granulosus cathepsin l1 0.0041 0.0274 0.0274
Entamoeba histolytica tubulin family protein 0.0054 0.0777 0.9029
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.086 0.3201
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.942 0.942
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0105 0.2688 0.2688
Leishmania major cathepsin L-like protease 0.0056 0.086 0.0437
Echinococcus granulosus Tubulin beta 2C chain 0.0054 0.0777 0.0777
Entamoeba histolytica cysteine proteinase, putative 0.0041 0.0274 0.3182
Trichomonas vaginalis tubulin, putative 0.0054 0.0777 0.289
Echinococcus multilocularis cathepsin L cysteine protease 0.0056 0.086 0.086
Loa Loa (eye worm) tubulin beta chain 0.0054 0.0777 0.0517
Plasmodium falciparum cysteine proteinase falcipain 3 0.0056 0.086 1
Onchocerca volvulus 0.0056 0.086 0.8893
Echinococcus multilocularis cathepsin b 0.0301 1 1
Plasmodium vivax vivapain-2 0.0056 0.086 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0056 0.086 0.0603
Schistosoma mansoni tubulin subunit beta 0.0054 0.0777 0.0777
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.086 0.3201
Leishmania major cysteine peptidase A (CPA) 0.0056 0.086 0.0437
Onchocerca volvulus 0.0056 0.086 0.8893
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.086 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.086 0.3201
Trichomonas vaginalis tubulin epsilon chain, putative 0.0054 0.0777 0.289
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0056 0.086 0.086
Loa Loa (eye worm) BEN-1 protein 0.0054 0.0777 0.0517
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.086 0.3201
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.086 0.3201
Loa Loa (eye worm) hypothetical protein 0.0056 0.086 0.0603
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.086 0.3201
Giardia lamblia Cathepsin B precursor 0.0105 0.2688 1
Echinococcus multilocularis beta tubulin 0.0054 0.0777 0.0777
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.086 0.3201
Echinococcus granulosus beta tubulin 0.0054 0.0777 0.0777
Onchocerca volvulus Cathepsin L homolog 0.0056 0.086 0.8893
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0274 0.1018
Echinococcus multilocularis cathepsin b 0.0301 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0056 0.086 0.086
Trichomonas vaginalis tubulin epsilon chain, putative 0.0054 0.0777 0.289
Loa Loa (eye worm) hypothetical protein 0.0301 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0054 0.0777 0.0777
Echinococcus granulosus cathepsin b 0.0301 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0056 0.086 0.086
Echinococcus granulosus Tubulin beta 2C chain 0.0054 0.0777 0.0777
Onchocerca volvulus 0.0056 0.086 0.8893
Echinococcus multilocularis Tubulin beta 2C chain 0.0054 0.0777 0.0777
Entamoeba histolytica tubulin family protein 0.0054 0.0777 0.9029
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0301 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0041 0.0274 0.0274
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0056 0.086 1
Loa Loa (eye worm) BEN-1 protein 0.0054 0.0777 0.0517
Loa Loa (eye worm) ctsf protein 0.0056 0.086 0.0603
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.086 0.3201
Toxoplasma gondii cathepsin B 0.0105 0.2688 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0041 0.0274 0.1018
Schistosoma mansoni cathepsin F (C01 family) 0.0056 0.086 0.086
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.086 0.3201
Onchocerca volvulus 0.0056 0.086 0.8893
Brugia malayi cathepsin L-like precursor 0.0041 0.0274 0.0274
Loa Loa (eye worm) beta-tubulin 0.0054 0.0777 0.0517
Trypanosoma brucei beta tubulin 0.0054 0.0777 0.289
Onchocerca volvulus 0.0056 0.086 0.8893
Brugia malayi hypothetical protein 0.0286 0.942 0.942
Leishmania major cathepsin L-like protease 0.0056 0.086 0.0437
Echinococcus granulosus cathepsin l cysteine peptidase 0.0056 0.086 0.086
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.086 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.086 0.3201
Echinococcus granulosus cathepsin L cysteine proteinase 0.0056 0.086 0.086
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.086 0.3201
Plasmodium vivax tubulin beta chain, putative 0.0054 0.0777 0.9029
Brugia malayi Cathepsin L-like precursor 0.0056 0.086 0.086
Trichomonas vaginalis tubulin gamma chain, putative 0.0054 0.0777 0.289
Trichomonas vaginalis tubulin beta chain, putative 0.0054 0.0777 0.289
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.086 0.3201
Giardia lamblia Cathepsin B precursor 0.0105 0.2688 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0056 0.086 0.086
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.086 0.3201
Entamoeba histolytica cysteine protease, putative 0.0056 0.086 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0056 0.086 0.086
Toxoplasma gondii cathepsin CPL 0.0056 0.086 0.0437
Loa Loa (eye worm) fibroinase 0.0056 0.086 0.0603
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.086 0.3201
Leishmania major cathepsin L-like protease 0.0056 0.086 0.0437
Plasmodium falciparum tubulin beta chain 0.0054 0.0777 0.9029
Echinococcus granulosus Tubulin beta 2C chain 0.0054 0.0777 0.0777
Echinococcus multilocularis cysteine protease 0.0056 0.086 0.086
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.086 0.3201
Trypanosoma cruzi cysteine peptidase, putative 0.0056 0.086 0.086
Echinococcus granulosus cathepsin l1 0.0056 0.086 0.086
Trypanosoma cruzi cysteine peptidase, putative 0.0056 0.086 0.086
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.086 0.3201
Loa Loa (eye worm) cysteine protease 0.0056 0.086 0.0603
Trypanosoma brucei beta tubulin 0.0054 0.0777 0.289
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.086 0.3201
Entamoeba histolytica cysteine proteinase, putative 0.0056 0.086 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0041 0.0274 0.0274
Schistosoma mansoni hypothetical protein 0.0058 0.0933 0.0933
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.086 0.3201
Loa Loa (eye worm) tubulin beta-4 chain 0.0054 0.0777 0.0517
Onchocerca volvulus 0.0058 0.0933 1
Echinococcus granulosus Tubulin beta 2C chain 0.0054 0.0777 0.0777
Echinococcus granulosus tubulin subunit beta 0.0054 0.0777 0.0777
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0056 0.086 0.3201
Loa Loa (eye worm) tubulin beta-2A chain 0.0054 0.0777 0.0517
Leishmania major cathepsin L-like protease 0.0056 0.086 0.0437
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.086 0.3201
Onchocerca volvulus 0.0056 0.086 0.8893
Brugia malayi Cathepsin L-like precursor 0.0056 0.086 0.086
Schistosoma mansoni tubulin subunit beta 0.0054 0.0777 0.0777
Schistosoma mansoni tubulin subunit beta 0.0054 0.0777 0.0777
Brugia malayi Papain family cysteine protease containing protein 0.0056 0.086 0.086
Echinococcus granulosus tubulin beta 4A class IVa 0.0054 0.0777 0.0777
Plasmodium vivax vivapain-2 0.0056 0.086 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0105 0.2688 1
Brugia malayi Cathepsin L-like precursor 0.0056 0.086 0.086
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0056 0.086 0.3201
Onchocerca volvulus 0.0056 0.086 0.8893
Echinococcus multilocularis beta tubulin 0.0054 0.0777 0.0777
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.086 0.3201
Echinococcus multilocularis Tubulin beta 2C chain 0.0054 0.0777 0.0777
Entamoeba histolytica cysteine proteinase, putative 0.0056 0.086 1
Schistosoma mansoni tubulin subunit beta 0.0054 0.0777 0.0777
Leishmania major cathepsin L-like protease 0.0056 0.086 0.0437
Schistosoma mansoni survival motor neuron protein 0.0058 0.0933 0.0933
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0056 0.086 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0056 0.086 0.3201
Giardia lamblia Cathepsin B precursor 0.0105 0.2688 1
Schistosoma mansoni tubulin subunit beta 0.0054 0.0777 0.0777
Trypanosoma cruzi beta tubulin, putative 0.0054 0.0777 0.0777
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0301 1 1
Trypanosoma brucei beta tubulin 0.0054 0.0777 0.289
Echinococcus multilocularis tubulin subunit beta 0.0054 0.0777 0.0777
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0301 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0301 1 1
Brugia malayi Cathepsin L-like precursor 0.0056 0.086 0.086
Trichomonas vaginalis tubulin alpha chain, putative 0.0054 0.0777 0.289
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0056 0.086 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0105 0.2688 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0301 1 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0105 0.2688 1
Brugia malayi Tubulin beta-1 chain 0.0054 0.0777 0.0777
Brugia malayi Cathepsin L-like precursor 0.0041 0.0274 0.0274
Brugia malayi Cathepsin L-like precursor 0.0041 0.0274 0.0274

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) 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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