Detailed information for compound 425522
Basic information
Technical information
- TDR Targets ID: 425522
- Name: 3-(2-methylphenoxy)propane-1,2-diol
- MW: 182.216 | Formula: C10H14O3
-
H donors: 2
H acceptors: 2
LogP: 0.96
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: OCC(COc1ccccc1C)O
- InChi: 1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
- InChiKey: JWDYCNIAQWPBHD-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- Mephenesin
- 59-47-2
- Noctynol
- Oranixon
- Ortol
- Prolax
- Prolaxin
- Proloxin
- RP 3602
- Relaxant
- Relaxar
- Relaxil
- Relaxyl
- Rex regulans
- Rhex 'hobeino'
- Rhex regulans
- SQ 1156
- Sansdolor
- Saserol
- Seconesinz
- Sinan
- Spartoloxin
- Spartoloxyn
- Spasmolyn
- Stilalgin
- Temian
- Thioxidil
- Thoxidil
- Tokerol
- Tolansin
- Tolax
- Tolbart
- Tolcil
- Tolhart
- Tolofren
- Tolosate
- Toloxyn
- Tolserol
- Tolseron
- Tolsil
- Tolsin
- Tolulexin
- Tolulox
- Tolydrin
- Tolynol
- Tolyspaz
- Torulox
- WLN: Q1YQ1OR B1
- Walco-Nesin
- Walconesin
- Walko-Nesin
- Xeral
- o-Cresol glyceryl ether
- o-Cresyl .alpha.-glyceryl ether
- o-Cresyl glycerol ether
- o-Kresol-glycerinaether
- KBioGR_001473
- 3-[(2-methylphenyl)oxy]propane-1,2-diol
- KBioSS_001882
- Prestwick1_000178
- NSC36140
- NCGC00094908-02
- SPECTRUM1501140
- DivK1c_000076
- 286567_ALDRICH
- Prestwick2_000178
- Prestwick_577
- KBio1_000076
- Renarcol
- SPBio_001996
- IDI1_000076
- Spectrum_001402
- AIDS-017830
- AIDS017830
- NCGC00094908-01
- ST5407278
- SPBio_001496
- M6125_SIGMA
- NINDS_000076
- BSPBio_000075
- Spectrum5_001199
- 1-Ortho-tolylglycerol ether
- NSC25234
- 4-06-00-01952 (Beilstein Handbook Reference)
- NSC50788
- Ageflex CGE
- BRN 2047373
- EINECS 200-427-4
- Mefenesina [INN-Spanish]
- Mephenesin [BAN:INN]
- Spectrum3_000908
- Mephenesine [INN-French]
- Mephenesinum [INN-Latin]
- D02595
- Mephenesin (INN)
- Tolserol (TN)
- Myolyseen
- KBio3_001856
- NSC 25234
- alpha,beta-Dihydroxy-gamma-(2-methylphenoxy)propane
- component of Tolagesic
- alpha-(o-Tolyl)glyceryl ether
- KBio2_001882
- o-Cresyl alpha-glyceryl ether
- KBio2_004450
- KBio2_007018
- o-Kresol-glycerinaether [German]
- Spectrum2_001418
- Spectrum4_001007
- Prestwick0_000178
- BPBio1_000083
- Prestwick3_000178
- .alpha.,.beta.-Dihydroxy-.gamma.-(2-methylphenoxy)propane
- .alpha.-(o-Tolyl)glyceryl ether
- 1,2-Dihydroxy-3-(2-methylphenoxy)propane
- 1,2-Propanediol, 3-(2-methylphenoxy)-
- 1,2-Propanediol, 3-(o-tolyloxy)-
- 1-o-Tolylglycerol ether
- 3-(2-Methylphenoxy)-1,2-propanediol
- 3-(2-Tolyloxy)-1,2-propanediol
- 3-(o-Methylphenoxy)-1,2-propanediol
- 3-(o-Tolyloxy)-1,2-propanediol
- 3-(o-Tolyloxy)propane-1,2-diol
- 3-o-Toloxy-1,2-propanediol
- A 1141
- Anatensin
- Anxine
- Atensin
- Avesyl
- Avosyl
- Avoxil
- Avoxyl
- BDH 312
- Byk-m 1
- Cresodiol
- Cresossidiolo
- Cresossipropandiolo
- Cresoxydiol
- Cresoxypropanediol
- Curaril
- Curarythan
- Curythan
- Daserd
- Daserol
- Decontractil
- Decontractyl
- Diloxol
- Dioloxal
- Dioloxol
- Findolar
- Findolor
- Glukresin
- Glyceryl o-tolyl ether
- Glykresin
- Glyotol
- Glytol
- Halabar
- Kinavosyl
- Kresoxypropandiol
- Lissenphan
- Lissephen
- Mc 2303
- Mefenesina
- Mefensina
- Memphenesin
- Mephate
- Mephedan
- Mephelor
- Mephenesine
- Mephensin
- Mepherol
- Mephesin
- Mephin
- Mephosal
- Mephson
- Mervaldin
- Mianesina
- Miolisina
- Moctynol
- Myanesin
- Myanil
- Myanol
- Myasin
- Myastenin
- Mycocuran
- Myocaine
- Myocuran
- Myodetensin
- Myodetensine
- Myolax
- Myolysin
- Myopan
- Myopen
- Myopna
- Myosera
- Myoserol
- Myoten
- Myoxane
- Myoxyl
- NSC8134
- Nembusen
- Nephelor
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 |
|---|---|---|---|---|
| Echinococcus multilocularis | sodium:myo inositol cotransporter | 1.6622 | 1 | 1 |
| Brugia malayi | Sodium:solute symporter family protein | 0.4242 | 0 | 0.5 |
| Echinococcus multilocularis | sodium:glucose cotransporter 2 | 1.6622 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.4242 | 0 | 0.5 |
| Echinococcus multilocularis | solute carrier family 5 | 1.6622 | 1 | 1 |
| Echinococcus granulosus | sodium:myo inositol cotransporter | 1.6622 | 1 | 1 |
| Echinococcus granulosus | solute carrier family 5 | 1.6622 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.4242 | 0 | 0.5 |
| Toxoplasma gondii | transporter, solute:sodium symporter (SSS) family protein | 0.4242 | 0 | 0.5 |
| Brugia malayi | GH02984p | 0.4242 | 0 | 0.5 |
| Echinococcus granulosus | sodium:glucose cotransporter 2 | 1.6622 | 1 | 1 |
| Schistosoma mansoni | inositol transporter | 1.6622 | 1 | 1 |
| Onchocerca volvulus | 0.4242 | 0 | 0.5 | |
| Schistosoma mansoni | inositol transporter | 1.6622 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (functional) | Effect on behavioral activity in mouse in presence of mephenesin | ChEMBL. | No reference | |
| Inhibition (ADMET) | = 101.014412 % | Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM | ChEMBL. | 23571415 |
| Inhibition (ADMET) | = 107.4942003 % | Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM | ChEMBL. | 23571415 |
| Log D | = 12.2 | Distribution coefficient, log D of the compound at pH 7.4 | ChEMBL. | 17178228 |
| LogP | = 1.09 | Partition coefficient, log P of the compound | ChEMBL. | 17178228 |
| Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) | ChEMBL. | No reference |
| t1/2 (ADMET) | = 8.75 hr | Half life of hydrolysis of the compound in hydrochloric acid buffer at pH 1.2 | ChEMBL. | 17178228 |
| t1/2 (ADMET) | = 19.86 hr | Half life of hydrolysis of the compound in phosphate buffer at pH 7.4 | ChEMBL. | 17178228 |
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.
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
- Search by CAS
- ChEMBL: CHEMBL229128
- PubChem: 4059
Bibliographic References
3 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.