Identification
- Generic Name
- Drotebanol
- DrugBank Accession Number
- DB01547
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Illicit
- Structure
Structure for Drotebanol (DB01547)
- Weight
- Average: 333.422
Monoisotopic: 333.194008357 - Chemical Formula
- C19H27NO4
- Synonyms
- Drotebanol
- External IDs
- IDS-ND-018
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 software1,2-Benzodiazepine The risk or severity of adverse effects can be increased when Drotebanol is combined with 1,2-Benzodiazepine. Acetazolamide The risk or severity of adverse effects can be increased when Acetazolamide is combined with Drotebanol. Acetophenazine The risk or severity of adverse effects can be increased when Acetophenazine is combined with Drotebanol. Agomelatine The risk or severity of adverse effects can be increased when Drotebanol is combined with Agomelatine. Alfentanil The risk or severity of adverse effects can be increased when Alfentanil is combined with Drotebanol. Alimemazine The risk or severity of adverse effects can be increased when Alimemazine is combined with Drotebanol. Almotriptan The risk or severity of adverse effects can be increased when Almotriptan is combined with Drotebanol. Alosetron The risk or severity of adverse effects can be increased when Alosetron is combined with Drotebanol. Alprazolam The risk or severity of adverse effects can be increased when Alprazolam is combined with Drotebanol. Alverine The risk or severity of adverse effects can be increased when Drotebanol is combined with Alverine. 
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 7RS2Q8MCK8
- CAS number
- 3176-03-2
- InChI Key
- LCAHPIFLPICNRW-SVYNMNNPSA-N
- InChI
- InChI=1S/C19H27NO4/c1-20-9-8-18-11-13(21)6-7-19(18,22)15(20)10-12-4-5-14(23-2)17(24-3)16(12)18/h4-5,13,15,21-22H,6-11H2,1-3H3/t13-,15-,18-,19-/m1/s1
- IUPAC Name
- (1R,9R,10S,13R)-3,4-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene-10,13-diol
- SMILES
- [H][C@]12CC3=C(C(OC)=C(OC)C=C3)[C@@]3(CCN1C)C[C@H](O)CC[C@@]23O
References
- General References
- Not Available
- External Links
- KEGG Drug
- D01496
- PubChem Compound
- 6916258
- PubChem Substance
- 46508971
- ChemSpider
- 16736125
- ChEBI
- 31951
- ChEMBL
- CHEMBL3989452
- Wikipedia
- Drotebanol
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 2.15 mg/mL ALOGPS logP 1.61 ALOGPS logP 1.02 Chemaxon logS -2.2 ALOGPS pKa (Strongest Acidic) 13.64 Chemaxon pKa (Strongest Basic) 8.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 62.16 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 91.99 m3·mol-1 Chemaxon Polarizability 36.19 Å3 Chemaxon Number of Rings 4 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 + 0.9595 Blood Brain Barrier + 0.9381 Caco-2 permeable + 0.7603 P-glycoprotein substrate Substrate 0.9255 P-glycoprotein inhibitor I Inhibitor 0.7512 P-glycoprotein inhibitor II Non-inhibitor 0.8049 Renal organic cation transporter Non-inhibitor 0.6121 CYP450 2C9 substrate Non-substrate 0.8035 CYP450 2D6 substrate Substrate 0.5891 CYP450 3A4 substrate Substrate 0.8261 CYP450 1A2 substrate Non-inhibitor 0.7566 CYP450 2C9 inhibitor Non-inhibitor 0.8929 CYP450 2D6 inhibitor Inhibitor 0.565 CYP450 2C19 inhibitor Non-inhibitor 0.8204 CYP450 3A4 inhibitor Non-inhibitor 0.8353 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9743 Ames test Non AMES toxic 0.8598 Carcinogenicity Non-carcinogens 0.9544 Biodegradation Not ready biodegradable 0.9837 Rat acute toxicity 2.9617 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9108 hERG inhibition (predictor II) Inhibitor 0.5102
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
Drug created at July 31, 2007 13:10 / Updated at February 21, 2021 18:51