Identification
- Generic Name
- Octylphenoxy polyethoxyethanol
- DrugBank Accession Number
- DB04682
- Background
-
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
-
Structure for Octylphenoxy polyethoxyethanol (DB04682)
- Weight
-
Average: 1527.9007
Monoisotopic: 1526.953507826 - Chemical Formula
- C74H142O31
- Synonyms
- Not Available
Pharmacology
- Indication
-
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning models
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Avoid life-threatening adverse drug eventsImprove clinical decision support with information oncontraindications & 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 UTroponin C, skeletal muscle 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/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- 药物的相互作用Learn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
-
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 softwareAbciximab The therapeutic efficacy of Abciximab can be decreased when used in combination with Octylphenoxy polyethoxyethanol. Acenocoumarol The therapeutic efficacy of Acenocoumarol can be decreased when used in combination with Octylphenoxy polyethoxyethanol. Acetaminophen The metabolism of Octylphenoxy polyethoxyethanol can be increased when combined with Acetaminophen. Acetazolamide The metabolism of Octylphenoxy polyethoxyethanol can be increased when combined with Acetazolamide. Acetohexamide The therapeutic efficacy of Acetohexamide can be decreased when used in combination with Octylphenoxy polyethoxyethanol. Alpelisib The metabolism of Octylphenoxy polyethoxyethanol can be increased when combined with Alpelisib. Alteplase The therapeutic efficacy of Alteplase can be decreased when used in combination with Octylphenoxy polyethoxyethanol. Aminoglutethimide The metabolism of Octylphenoxy polyethoxyethanol can be increased when combined with Aminoglutethimide. Amobarbital The metabolism of Octylphenoxy polyethoxyethanol can be increased when combined with Amobarbital. Amoxicillin The therapeutic efficacy of Octylphenoxy polyethoxyethanol can be decreased when used in combination with Amoxicillin. 
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
-
- Adrenal Cortex Hormones
- Alcohols
- Antifoaming Agents
- Antispermatogenic Agents
- Compounds used in a research, industrial, or household setting
- Contraceptive Agents, Female
- Contraceptive Agents, Male
- Detergents
- Ethylene Glycols
- Excipients
- Glycols
- Hormonal Contraceptives for Systemic Use
- Household Products
- Macromolecular Substances
- Noxae
- Pharmaceutic Aids
- Pharmaceutical Preparations
- Pharmaceutical Vehicles
- Polyethylene Glycols
- Polymers
- Reproductive Control Agents
- Spermatocidal Agents
- Surface-Active Agents
- Toxic Actions
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 9T1C662FKS
- CAS number
- 9036-19-5
- InChI Key
- WEGJDERSZWOWIB-UHFFFAOYSA-N
- InChI
-
InChI=1S/C74H142O31/c1-73(2,3)70-74(4,5)71-6-8-72(9-7-71)105-69-68-104-67-66-103-65-64-102-63-62-101-61-60-100-59-58-99-57-56-98-55-54-97-53-52-96-51-50-95-49-48-94-47-46-93-45-44-92-43-42-91-41-40-90-39-38-89-37-36-88-35-34-87-33-32-86-31-30-85-29-28-84-27-26-83-25-24-82-23-22-81-21-20-80-19-18-79-17-16-78-15-14-77-13-12-76-11-10-75/h6-9,75H,10-70H2,1-5H3
- IUPAC Name
-
89-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87-nonacosaoxanonaoctacontan-1-ol
- SMILES
-
CC(C)(C)CC(C)(C)C1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1
References
- 一般引用
- Not Available
- External Links
- PDB Entries
- 1ytz
Clinical Trials
- Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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Phase Status Purpose Conditions Count
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 水溶胶ubility 0.000553 mg/mL ALOGPS logP 1.31 ALOGPS logP 2.78 Chemaxon logS -6.4 ALOGPS pKa (Strongest Acidic) 15.12 Chemaxon pKa (Strongest Basic) -2.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 31 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 297.13 Å2 Chemaxon Rotatable Bond Count 93 Chemaxon Refractivity 395.97 m3·mol-1 Chemaxon Polarizability 187.66 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like规则 No Chemaxon - Predicted ADMET Features
-
Property Value Probability Human Intestinal Absorption + 0.9806 Blood Brain Barrier + 0.85 Caco-2 permeable + 0.6549 P-glycoprotein substrate Substrate 0.7143 P-glycoprotein inhibitor I Non-inhibitor 0.6616 P-glycoprotein inhibitor II Inhibitor 0.5164 Renal organic cation transporter Non-inhibitor 0.8309 CYP450 2C9 substrate Non-substrate 0.7869 CYP450 2D6 substrate Non-substrate 0.7435 CYP450 3A4 substrate Substrate 0.6095 CYP450 1A2 substrate Non-inhibitor 0.9256 CYP450 2C9 inhibitor Non-inhibitor 0.8907 CYP450 2D6 inhibitor Non-inhibitor 0.9462 CYP450 2C19 inhibitor Non-inhibitor 0.8672 CYP450 3A4 inhibitor Non-inhibitor 0.6623 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9546 Ames test Non AMES toxic 0.8702 Carcinogenicity Non-carcinogens 0.7399 Biodegradation Not ready biodegradable 0.9103 Rat acute toxicity 2.0336 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.8383 hERG inhibition (predictor II) Non-inhibitor 0.715
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
-
Spectrum Spectrum Type Splash Key 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
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
-
未知的
- General Function
- Calcium ion binding
- Specific Function
- Troponin is the central regulatory protein of striated muscle contraction. Tn consists of three components: Tn-I which is the inhibitor of actomyosin ATPase, Tn-T which contains the binding site fo...
- Gene Name
- TNNC2
- Uniprot ID
- P02585
- Uniprot Name
- Troponin C, skeletal muscle
- 分子量
- 18121.895 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 September 11, 2007 17:49 / Updated at June 12, 2020 16:52