NAV

Climbazole

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Climbazole
DrugBank Accession Number
DB15580
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 292.76
Monoisotopic: 292.0978555
Chemical Formula
C15H17ClN2O2
Synonyms
  • Climbazol
  • Climbazole
  • Climbazolum
External IDs
  • BAY E 6975
  • BAY-E 6975
  • MEB 6401
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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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International/Other Brands
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
ChemSpider
34752
BindingDB
181112
RxNav
191566
ChEBI
83719
ChEMBL
CHEMBL1437764
Wikipedia
Climbazole

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility0.0595 mg/mLALOGPS
logP3.33ALOGPS
logP4.34Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)18.87Chemaxon
pKa (Strongest Basic)6.49Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area44.12 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity77.51 m3·mol-1Chemaxon
Polarizability29.78 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-016u-0490000000-5e6b4c50b2209e0c4d81
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-fdf8f1fd362345d2e668
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014l-9460000000-5d5755e4146edc5542ef
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-9010000000-42f5b99299f13f85a67f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9410000000-31e347327401f4902b40
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-014j-9100000000-e14d31122db9ee1edaed
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-167.50752
predicted
DeepCCS 1.0 (2019)
[M+H]+169.86552
predicted
DeepCCS 1.0 (2019)
[M+Na]+175.95866
predicted
DeepCCS 1.0 (2019)

Drug created at December 10, 2019 18:42 / Updated at February 21, 2021 18:55