This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Heptaethylene glycol
- DrugBank Accession Number
- DB03394
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Heptaethylene glycol (DB03394)
- Weight
- Average: 326.3832
Monoisotopic: 326.194067936 - Chemical Formula
- C14H30O8
- Synonyms
- 3,6,9,12,15,18-hexaoxaeicosane-1,20-diol
- Heptaethylene glycol, Peg330
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UCarbonyl reductase [NADPH] 1 Not Available Humans - 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.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.
Drug Interaction Integrate drug-drug
interactions in your softwareAntihemophilic factor (recombinant), PEGylated The therapeutic efficacy of Antihemophilic factor (recombinant), PEGylated can be decreased when used in combination with Heptaethylene glycol. Certolizumab pegol The therapeutic efficacy of Certolizumab pegol can be decreased when used in combination with Heptaethylene glycol. Damoctocog alfa pegol The therapeutic efficacy of Damoctocog alfa pegol can be decreased when used in combination with Heptaethylene glycol. Elapegademase The therapeutic efficacy of Elapegademase can be decreased when used in combination with Heptaethylene glycol. Lipegfilgrastim The therapeutic efficacy of Lipegfilgrastim can be decreased when used in combination with Heptaethylene glycol. Methoxy polyethylene glycol-epoetin beta The therapeutic efficacy of Methoxy polyethylene glycol-epoetin beta can be decreased when used in combination with Heptaethylene glycol. Nonacog beta pegol The therapeutic efficacy of Nonacog beta pegol can be decreased when used in combination with Heptaethylene glycol. Pegademase The therapeutic efficacy of Heptaethylene glycol can be decreased when used in combination with Pegademase. Pegaptanib The therapeutic efficacy of Pegaptanib can be decreased when used in combination with Heptaethylene glycol. Pegaspargase The therapeutic efficacy of Heptaethylene glycol can be decreased when used in combination with Pegaspargase. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3).
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Ethers
- Direct Parent
- Polyethylene glycols
- Alternative Parents
- Primary alcohols / Hydrocarbon derivatives
- Substituents
- Alcohol / Aliphatic acyclic compound / Hydrocarbon derivative / Polyethylene glycol / Primary alcohol
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- poly(ethylene glycol) (CHEBI:44748)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- 5617-32-3
- InChI Key
- XPJRQAIZZQMSCM-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2
- IUPAC Name
- 3,6,9,12,15,18-hexaoxaicosane-1,20-diol
- SMILES
- OCCOCCOCCOCCOCCOCCOCCO
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0061835
- PubChem Compound
- 79718
- PubChem Substance
- 46504978
- ChemSpider
- 72017
- ChEBI
- 44748
- ZINC
- ZINC000005178829
- PDBe Ligand
- P33
- PDB Entries
- 1oxn / 1oxq / 1oy7 / 1t0t / 1vg9 / 1wma / 1y4l / 1zzm / 2aaw / 2afv … show 100 more
Clinical Trials
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 1.55 mg/mL ALOGPS logP -0.65 ALOGPS logP -1.5 Chemaxon logS -2.3 ALOGPS pKa (Strongest Acidic) 14.82 Chemaxon pKa (Strongest Basic) -2.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 95.84 Å2 Chemaxon Rotatable Bond Count 19 Chemaxon Refractivity 80.81 m3·mol-1 Chemaxon Polarizability 37.93 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.8022 Blood Brain Barrier + 0.7177 Caco-2 permeable - 0.6047 P-glycoprotein substrate Non-substrate 0.5512 P-glycoprotein inhibitor I Non-inhibitor 0.871 P-glycoprotein inhibitor II Non-inhibitor 0.5686 Renal organic cation transporter Non-inhibitor 0.8556 CYP450 2C9 substrate Non-substrate 0.855 CYP450 2D6 substrate Non-substrate 0.8718 CYP450 3A4 substrate Non-substrate 0.7379 CYP450 1A2 substrate Non-inhibitor 0.9373 CYP450 2C9 inhibitor Non-inhibitor 0.9171 CYP450 2D6 inhibitor Non-inhibitor 0.9671 CYP450 2C19 inhibitor Non-inhibitor 0.9138 CYP450 3A4 inhibitor Non-inhibitor 0.9509 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9547 Ames test Non AMES toxic 0.8251 Carcinogenicity Non-carcinogens 0.7438 Biodegradation Ready biodegradable 0.6178 Rat acute toxicity 0.9772 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.8496 hERG inhibition (predictor II) Non-inhibitor 0.8278
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Prostaglandin-e2 9-reductase activity
- Specific Function
- NADPH-dependent reductase with broad substrate specificity. Catalyzes the reduction of a wide variety of carbonyl compounds including quinones, prostaglandins, menadione, plus various xenobiotics. ...
- Gene Name
- CBR1
- Uniprot ID
- P16152
- Uniprot Name
- Carbonyl reductase [NADPH] 1
- Molecular Weight
- 30374.73 Da
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52