This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- GBR-12879
- DrugBank Accession Number
- DB17028
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for GBR-12879 (DB17028)
- Weight
- Average: 448.558
Monoisotopic: 448.23261992 - Chemical Formula
- C28H30F2N2O
- Synonyms
- 1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenyl-2-propenyl)piperazine
- Piperazine, 1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenyl-2-propen-1-yl)-
- Piperazine, 1-(2-(bis(4-fluorophenyl)methoxy)ethyl)-4-(3-phenyl-2-propenyl)-
- External IDs
- GBR-12879
- J389.022H
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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Ingredient UNII CAS InChI Key GBR-12879 dihydrochloride 0G7C81J7OM 67469-45-8 Not applicable GBR-12879 dimesylate 9B7G9F1T4T 77862-93-2 Not applicable
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- VNS6D6QMEP
- CAS number
- 67469-43-6
- InChI Key
- DASHZBBQOARCMQ-QPJJXVBHSA-N
- InChI
- InChI=1S/C28H30F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-15,28H,16-22H2/b7-4+
- IUPAC Name
- 1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
- SMILES
- FC1=CC=C(C=C1)C(OCCN1CCN(C\C=C\C2=CC=CC=C2)CC1)C1=CC=C(F)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 4767934
- BindingDB
- 22199
- ChEMBL
- CHEMBL286991
- ZINC
- ZINC000022454217
Clinical Trials
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 0.00122 mg/mL ALOGPS logP 5.51 ALOGPS logP 6.12 Chemaxon logS -5.6 ALOGPS pKa (Strongest Basic) 7.59 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 15.71 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 131.34 m3·mol-1 Chemaxon Polarizability 49.39 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at October 11, 2022 16:53 / Updated at December 13, 2022 10:46