GBR-12783
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- GBR-12783
- DrugBank Accession Number
- DB17027
- Background
A selective inhibitor of dopamine uptake.1
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 412.577
Monoisotopic: 412.251463658 - Chemical Formula
- C28H32N2O
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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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
- 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
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key GBR-12783 dihydrochloride Not Available 67469-75-4 Not applicable
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 96Y892TJ2A
- CAS number
- 145428-33-7
- InChI Key
- XFBDGHFDKJITGC-JLHYYAGUSA-N
- InChI
- InChI=1S/C28H32N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+
- IUPAC Name
- 1-[2-(diphenylmethoxy)ethyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
- SMILES
- [H]\C(CN1CCN(CCOC(C2=CC=CC=C2)C2=CC=CC=C2)CC1)=C(\[H])C1=CC=CC=C1
References
- General References
- Bonnet JJ, Costentin J: GBR 12783, a potent and selective inhibitor of dopamine uptake: biochemical studies in vivo and ex vivo. Eur J Pharmacol. 1986 Feb 18;121(2):199-209. doi: 10.1016/0014-2999(86)90491-7. [Article]
- External Links
- ChemSpider
- 4702243
- BindingDB
- 81954
- ChEMBL
- CHEMBL1612198
- ZINC
- ZINC000022454226
- Wikipedia
- GBR-12783
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 0.000965 mg/mL ALOGPS logP 5.34 ALOGPS logP 5.83 Chemaxon logS -5.6 ALOGPS pKa (Strongest Basic) 7.63 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 130.91 m3·mol-1 Chemaxon Polarizability 48.6 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 15:56 / Updated at December 13, 2022 10:46