This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Climbazole
- DrugBank Accession Number
- DB15580
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Climbazole (DB15580)
- Weight
- Average: 292.76
Monoisotopic: 292.0978555 - Chemical Formula
- C15H17ClN2O2
- Synonyms
- Climbazol
- Climbazole
- Climbazolum
- External IDs
- BAY E 6975
- BAY-E 6975
- MEB 6401
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
- 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. 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
Products
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- Baypival / Baysan
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 9N42CW7I54
- CAS number
- 38083-17-9
- InChI Key
- OWEGWHBOCFMBLP-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3
- IUPAC Name
- 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one
- SMILES
- CC(C)(C)C(=O)C(OC1=CC=C(Cl)C=C1)N1C=CN=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 34752
- BindingDB
- 181112
- 191566
- ChEBI
- 83719
- ChEMBL
- CHEMBL1437764
- Wikipedia
- Climbazole
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0595 mg/mL ALOGPS logP 3.33 ALOGPS logP 4.34 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 18.87 Chemaxon pKa (Strongest Basic) 6.49 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 44.12 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 77.51 m3·mol-1 Chemaxon Polarizability 29.78 Å3 Chemaxon Number of Rings 2 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
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-016u-0490000000-5e6b4c50b2209e0c4d81 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0090000000-fdf8f1fd362345d2e668 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014l-9460000000-5d5755e4146edc5542ef Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-9010000000-42f5b99299f13f85a67f Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-9410000000-31e347327401f4902b40 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-014j-9100000000-e14d31122db9ee1edaed Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 167.50752 predictedDeepCCS 1.0 (2019) [M+H]+ 169.86552 predictedDeepCCS 1.0 (2019) [M+Na]+ 175.95866 predictedDeepCCS 1.0 (2019)
Drug created at December 10, 2019 18:42 / Updated at February 21, 2021 18:55