Identification
- Generic Name
- (R)-Propylene glycol
- DrugBank Accession Number
- DB02159
- Background
A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for (R)-Propylene glycol (DB02159)
- Weight
- Average: 76.0944
Monoisotopic: 76.0524295 - Chemical Formula
- C3H8O2
- Synonyms
- R-1,2-propanediol
- External IDs
- NSC-90793
Pharmacology
- Indication
Not Available
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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 UIsocitrate dehydrogenase [NADP] Not Available Bacillus subtilis (strain 168) ULysozyme C 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.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 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Alcohols and polyols
- Direct Parent
- 1,2-diols
- Alternative Parents
- Secondary alcohols / Primary alcohols / Hydrocarbon derivatives
- Substituents
- 1,2-diol / Aliphatic acyclic compound / Hydrocarbon derivative / Primary alcohol / Secondary alcohol
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- propane-1,2-diol (CHEBI:28972)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 602HN5L69H
- CAS number
- 4254-14-2
- InChI Key
- DNIAPMSPPWPWGF-GSVOUGTGSA-N
- InChI
- InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
- IUPAC Name
- (2R)-propane-1,2-diol
- SMILES
- C[C@@H](O)CO
References
- General References
- Not Available
- External Links
- PDB Entries
- 1hhz / 1hqs / 1rem / 1uc5 / 1yiq / 2hb4 / 2pc0 / 2v2b / 2vbk / 2xe4 … show 50 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 952.0 mg/mL ALOGPS logP -1.1 ALOGPS logP -0.79 Chemaxon logS 1.1 ALOGPS pKa (Strongest Acidic) 14.47 Chemaxon pKa (Strongest Basic) -2.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 40.46 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 18.97 m3·mol-1 Chemaxon Polarizability 8.01 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 + 0.9832 Blood Brain Barrier + 0.7184 Caco-2 permeable - 0.6594 P-glycoprotein substrate Non-substrate 0.7162 P-glycoprotein inhibitor I Non-inhibitor 0.9157 P-glycoprotein inhibitor II Non-inhibitor 0.944 Renal organic cation transporter Non-inhibitor 0.9401 CYP450 2C9 substrate Non-substrate 0.832 CYP450 2D6 substrate Non-substrate 0.8739 CYP450 3A4 substrate Non-substrate 0.7434 CYP450 1A2 substrate Non-inhibitor 0.7858 CYP450 2C9 inhibitor Non-inhibitor 0.9388 CYP450 2D6 inhibitor Non-inhibitor 0.9526 CYP450 2C19 inhibitor Non-inhibitor 0.8969 CYP450 3A4 inhibitor Non-inhibitor 0.9599 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.958 Ames test Non AMES toxic 0.9132 Carcinogenicity Carcinogens 0.5 Biodegradation Ready biodegradable 0.9505 Rat acute toxicity 0.6112 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9568 hERG inhibition (predictor II) Non-inhibitor 0.9008
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Targets
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- Kind
- Protein
- Organism
- Bacillus subtilis (strain 168)
- Pharmacological action
- Unknown
- General Function
- Nad binding
- Specific Function
- Not Available
- Gene Name
- icd
- Uniprot ID
- P39126
- Uniprot Name
- Isocitrate dehydrogenase [NADP]
- Molecular Weight
- 46417.39 Da
References
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Lysozyme activity
- Specific Function
- Lysozymes have primarily a bacteriolytic function; those in tissues and body fluids are associated with the monocyte-macrophage system and enhance the activity of immunoagents.
- Gene Name
- LYZ
- Uniprot ID
- P61626
- Uniprot Name
- Lysozyme C
- Molecular Weight
- 16536.885 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- 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 June 12, 2020 16:52