Identification
- Generic Name
- S,R-Warfarin alcohol
- DrugBank Accession Number
- DB08736
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for S,R-Warfarin alcohol (DB08736)
- Weight
- Average: 310.3438
Monoisotopic: 310.120509064 - Chemical Formula
- C19H18O4
- Synonyms
- Not Available
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
- Not Available
- 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 softwareAbiraterone The serum concentration of S,R-Warfarin alcohol can be increased when it is combined with Abiraterone. Acalabrutinib The serum concentration of S,R-Warfarin alcohol can be increased when it is combined with Acalabrutinib. Acetaminophen The serum concentration of S,R-Warfarin alcohol can be increased when it is combined with Acetaminophen. Acetazolamide The serum concentration of S,R-Warfarin alcohol can be increased when it is combined with Acetazolamide. Adagrasib The serum concentration of S,R-Warfarin alcohol can be increased when it is combined with Adagrasib. Aldesleukin The serum concentration of S,R-Warfarin alcohol can be increased when it is combined with Aldesleukin. Alpelisib The serum concentration of S,R-Warfarin alcohol can be increased when it is combined with Alpelisib. Aminoglutethimide The metabolism of S,R-Warfarin alcohol can be increased when combined with Aminoglutethimide. Amiodarone The risk or severity of bleeding can be increased when Amiodarone is combined with S,R-Warfarin alcohol. Amitriptyline The therapeutic efficacy of S,R-Warfarin alcohol can be decreased when used in combination with Amitriptyline. 
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 62GD2Z2LXM
- CAS number
- 40281-79-6
- InChI Key
- ZUJMMGHIYSAEOU-DOMZBBRYSA-N
- InChI
- InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20-21H,11H2,1H3/t12-,15+/m1/s1
- IUPAC Name
- 4-hydroxy-3-[(1S)-3-hydroxy-1-phenylbutyl]-2H-chromen-2-one
- SMILES
- [H][C@](C)(O)C[C@@]([H])(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 54723704
- PubChem Substance
- 99445207
- ChemSpider
- 25059172
- BindingDB
- 50408930
- ZINC
- ZINC000003875291
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 0.0806 mg/mL ALOGPS logP 2.59 ALOGPS logP 2.72 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 5.63 Chemaxon pKa (Strongest Basic) -2.5 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 66.76 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 87.99 m3·mol-1 Chemaxon Polarizability 32.91 Å3 Chemaxon Number of Rings 3 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 + 0.9357 Blood Brain Barrier + 0.7079 Caco-2 permeable + 0.823 P-glycoprotein substrate Substrate 0.6669 P-glycoprotein inhibitor I Non-inhibitor 0.9258 P-glycoprotein inhibitor II Non-inhibitor 0.9071 Renal organic cation transporter Non-inhibitor 0.9088 CYP450 2C9 substrate Non-substrate 0.6966 CYP450 2D6 substrate Non-substrate 0.6558 CYP450 3A4 substrate Non-substrate 0.5759 CYP450 1A2 substrate Non-inhibitor 0.6267 CYP450 2C9 inhibitor Non-inhibitor 0.5648 CYP450 2D6 inhibitor Non-inhibitor 0.8659 CYP450 2C19 inhibitor Non-inhibitor 0.8784 CYP450 3A4 inhibitor Non-inhibitor 0.795 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8084 Ames test Non AMES toxic 0.8119 Carcinogenicity Non-carcinogens 0.9367 Biodegradation Not ready biodegradable 0.8445 Rat acute toxicity 4.0974 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9233 hERG inhibition (predictor II) Non-inhibitor 0.9362
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Carriers
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Toxic substance binding
- Specific Function
- Serum albumin, the main protein of plasma, has a good binding capacity for water, Ca(2+), Na(+), K(+), fatty acids, hormones, bilirubin and drugs. Its main function is the regulation of the colloid...
- Gene Name
- ALB
- Uniprot ID
- P02768
- Uniprot Name
- Serum albumin
- Molecular Weight
- 69365.94 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 15, 2010 21:34 / Updated at June 12, 2020 16:52