Identification
- Generic Name
- Ethyl-Trimethyl-Silane
- DrugBank Accession Number
- DB02265
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Ethyl-Trimethyl-Silane (DB02265)
- Weight
- Average: 102.2502
Monoisotopic: 102.086476981 - Chemical Formula
- C5H14Si
- Synonyms
- Not Available
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 UTetanus toxin Not Available Clostridium tetani (strain Massachusetts / E88) - 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 hydrocarbon derivatives. These are derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. They contain at least one carbon atom and heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Hydrocarbon derivatives
- Class
- Not Available
- Sub Class
- Not Available
- Direct Parent
- Hydrocarbon derivatives
- Alternative Parents
- Alkylsilanes
- Substituents
- Aliphatic acyclic compound / Alkylsilane / Hydrocarbon derivative / Organosilicon compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- organosilicon compound (CHEBI:48788)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- O72DFI3IWO
- CAS number
- 3439-38-1
- InChI Key
- UKAJDOBPPOAZSS-UHFFFAOYSA-N
- InChI
- InChI=1S/C5H14Si/c1-5-6(2,3)4/h5H2,1-4H3
- IUPAC Name
- ethyltrimethylsilane
- SMILES
- CC[Si](C)(C)C
References
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 0.228 mg/mL ALOGPS logP 2.95 ALOGPS logP 2.51 Chemaxon logS -2.6 ALOGPS Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 26.99 m3·mol-1 Chemaxon Polarizability 12.43 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.8989 Blood Brain Barrier + 0.9752 Caco-2 permeable + 0.6503 P-glycoprotein substrate Non-substrate 0.696 P-glycoprotein inhibitor I Non-inhibitor 0.9525 P-glycoprotein inhibitor II Non-inhibitor 0.9149 Renal organic cation transporter Non-inhibitor 0.8958 CYP450 2C9 substrate Non-substrate 0.8426 CYP450 2D6 substrate Non-substrate 0.8229 CYP450 3A4 substrate Non-substrate 0.5874 CYP450 1A2 substrate Non-inhibitor 0.8663 CYP450 2C9 inhibitor Non-inhibitor 0.9133 CYP450 2D6 inhibitor Non-inhibitor 0.9335 CYP450 2C19 inhibitor Non-inhibitor 0.9248 CYP450 3A4 inhibitor Non-inhibitor 0.9709 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9341 Ames test Non AMES toxic 0.9681 Carcinogenicity Carcinogens 0.8131 Biodegradation Ready biodegradable 0.515 Rat acute toxicity 1.8779 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9725 hERG inhibition (predictor II) Non-inhibitor 0.89
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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- Kind
- Protein
- Organism
- Clostridium tetani (strain Massachusetts / E88)
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Tetanus toxin acts by inhibiting neurotransmitter release. It binds to peripheral neuronal synapses, is internalized and moves by retrograde transport up the axon into the spinal cord where it can ...
- Gene Name
- tetX
- Uniprot ID
- P04958
- Uniprot Name
- Tetanus toxin
- Molecular Weight
- 150680.98 Da
References
Drug created at June 13, 2005 13:24 / Updated at July 02, 2020 13:13