Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Pentaglyme
- DrugBank Accession Number
- DB02580
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Pentaglyme (DB02580)
- Weight
- Average: 266.3312
Monoisotopic: 266.172938564 - Chemical Formula
- C12H26O6
- Synonyms
- pentaethyleneglycol dimethyl ether
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UProfilin-2 Not Available Humans URestriction endonuclease R.BpuJI Not Available Bacillus pumilus UCytochrome c-552 Not Available Thioalkalivibrio nitratireducens UUncharacterized protein Not Available Streptomyces avermitilis (strain ATCC 31267 / DSM 46492 / JCM 5070 / NCIMB 12804 / NRRL 8165 / MA-4680) USensor cyclic diguanylate phosphodiesterase, GAF and GAF domain-containing Not Available Geobacter sulfurreducens (strain ATCC 51573 / DSM 12127 / PCA) UUncharacterized protein Not Available Acidithiobacillus ferrooxidans (strain ATCC 23270 / DSM 14882 / NCIB 8455) U2,3-bisphosphoglycerate-dependent phosphoglycerate mutase Not Available Burkholderia pseudomallei (strain 1710b) UAdenylosuccinate synthetase Not Available Yersinia pestis UHypothetical cytosolic protein Not Available Syntrophus aciditrophicus (strain SB) UEDD domain protein, DegV family Not Available Ruminococcus gnavus ATCC 29149 UUncharacterized protein Not Available Vibrio parahaemolyticus serotype O3:K6 (strain RIMD 2210633) - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Ethers
- Direct Parent
- Dialkyl ethers
- Alternative Parents
- Hydrocarbon derivatives
- Substituents
- Aliphatic acyclic compound / Dialkyl ether / Hydrocarbon derivative
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- polyether (CHEBI:44934)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- 1191-87-3
- InChI Key
- DMDPGPKXQDIQQG-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3
- IUPAC Name
- 2,5,8,11,14,17-hexaoxaoctadecane
- SMILES
- COCCOCCOCCOCCOCCOC
References
- General References
- Not Available
- External Links
- PDB Entries
- 1d1j / 1zrt / 2vla / 2zo5 / 3cnx / 3d1i / 3eea / 3eo4 / 3f29 / 3fo3 … show 83 more
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 2.13 mg/mL ALOGPS logP -0.12 ALOGPS logP -0.11 Chemaxon logS -2.1 ALOGPS pKa (Strongest Basic) -3.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 55.38 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 68.23 m3·mol-1 Chemaxon Polarizability 31.57 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9707 Blood Brain Barrier + 0.9606 Caco-2 permeable + 0.6577 P-glycoprotein substrate Non-substrate 0.5436 P-glycoprotein inhibitor I Non-inhibitor 0.8095 P-glycoprotein inhibitor II Non-inhibitor 0.7785 Renal organic cation transporter Non-inhibitor 0.8048 CYP450 2C9 substrate Non-substrate 0.8731 CYP450 2D6 substrate Non-substrate 0.8201 CYP450 3A4 substrate Non-substrate 0.5939 CYP450 1A2 substrate Non-inhibitor 0.9155 CYP450 2C9 inhibitor Non-inhibitor 0.934 CYP450 2D6 inhibitor Non-inhibitor 0.964 CYP450 2C19 inhibitor Non-inhibitor 0.9197 CYP450 3A4 inhibitor Non-inhibitor 0.9779 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9623 Ames test Non AMES toxic 0.5 Carcinogenicity Non-carcinogens 0.6174 Biodegradation Ready biodegradable 0.5317 Rat acute toxicity 1.6041 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.8506 hERG inhibition (predictor II) Non-inhibitor 0.8749
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0012-7910000000-6b3e5666eb56d7bc8f30 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0ldi-5910000000-3f120105942810580ef6 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-002b-2920000000-50fbd2c96de5683e9be1 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-05p2-9500000000-2678589d4425c4e2f8d3 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a5a-2920000000-e0d266e0b11abf589003 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0592-9200000000-7eacbe8ba30b996558be Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a5a-3900000000-c7104ecc865968c74454 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 179.6632379 predictedDarkChem Lite v0.1.0 [M-H]- 153.64574 predictedDeepCCS 1.0 (2019) [M+H]+ 178.3002379 predictedDarkChem Lite v0.1.0 [M+H]+ 157.65433 predictedDeepCCS 1.0 (2019) [M+Na]+ 167.0806 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Binds to actin and affects the structure of the cytoskeleton. At high concentrations, profilin prevents the polymerization of actin, whereas it enhances it at low concentrations. By binding to PIP2, it inhibits the formation of IP3 and DG
- Specific Function
- Actin binding
- Gene Name
- PFN2
- Uniprot ID
- P35080
- Uniprot Name
- Profilin-2
- Molecular Weight
- 15046.155 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Bacillus pumilus
- Pharmacological action
- Unknown
- General Function
- Endonuclease activity
- Specific Function
- Not Available
- Gene Name
- bpuJIR
- Uniprot ID
- A3FMN7
- Uniprot Name
- Restriction endonuclease R.BpuJI
- Molecular Weight
- 53892.665 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Thioalkalivibrio nitratireducens
- Pharmacological action
- Unknown
- General Function
- Nitrite reductase (cytochrome, ammonia-forming) activity
- Specific Function
- Catalyzes the reduction of nitrite to ammonia, consuming six electrons in the process (PubMed:16500161, PubMed:22281743). Has very low activity toward hydroxylamine (PubMed:16500161). Has even lowe...
- Gene Name
- nir
- Uniprot ID
- L0DSL2
- Uniprot Name
- Cytochrome c-552
- Molecular Weight
- 62344.36 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Streptomyces avermitilis (strain ATCC 31267 / DSM 46492 / JCM 5070 / NCIMB 12804 / NRRL 8165 / MA-4680)
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- Not Available
- Gene Name
- Not Available
- Uniprot ID
- Q82EE4
- Uniprot Name
- Uncharacterized protein
- Molecular Weight
- 18159.85 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Geobacter sulfurreducens (strain ATCC 51573 / DSM 12127 / PCA)
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- Not Available
- Gene Name
- Not Available
- Uniprot ID
- Q74EF5
- Uniprot Name
- Sensor cyclic diguanylate phosphodiesterase, GAF and GAF domain-containing
- Molecular Weight
- 60196.125 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Acidithiobacillus ferrooxidans (strain ATCC 23270 / DSM 14882 / NCIB 8455)
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- Not Available
- Gene Name
- Not Available
- Uniprot ID
- B7JA91
- Uniprot Name
- Uncharacterized protein
- Molecular Weight
- 17701.5 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Burkholderia pseudomallei (strain 1710b)
- Pharmacological action
- Unknown
- General Function
- 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase activity
- Specific Function
- Catalyzes the interconversion of 2-phosphoglycerate and 3-phosphoglycerate.
- Gene Name
- gpmA
- Uniprot ID
- Q3JWH7
- Uniprot Name
- 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase
- Molecular Weight
- 27892.46 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Yersinia pestis
- Pharmacological action
- Unknown
- General Function
- Magnesium ion binding
- Specific Function
- Plays an important role in the de novo pathway of purine nucleotide biosynthesis. Catalyzes the first committed step in the biosynthesis of AMP from IMP.
- Gene Name
- purA
- Uniprot ID
- Q8ZIV7
- Uniprot Name
- Adenylosuccinate synthetase
- Molecular Weight
- 47277.655 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Syntrophus aciditrophicus (strain SB)
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- Not Available
- Gene Name
- Not Available
- Uniprot ID
- Q2LU76
- Uniprot Name
- Hypothetical cytosolic protein
- Molecular Weight
- 17243.45 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Ruminococcus gnavus ATCC 29149
- Pharmacological action
- Unknown
- General Function
- Lipid binding
- Specific Function
- Not Available
- Gene Name
- Not Available
- Uniprot ID
- A7B6P0
- Uniprot Name
- EDD domain protein, DegV family
- Molecular Weight
- 37134.205 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Vibrio parahaemolyticus serotype O3:K6 (strain RIMD 2210633)
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- Not Available
- Gene Name
- Not Available
- Uniprot ID
- Q87MW5
- Uniprot Name
- Uncharacterized protein
- Molecular Weight
- 24061.53 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Drug created at June 13, 2005 13:24 / Updated at August 01, 2020 13:43