GW-468816
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- GW-468816
- DrugBank Accession Number
- DB15099
- Background
GW-468816 is under investigation in clinical trial NCT00218465 (Effectiveness of GW468816, an NMDA Glycine Site Antagonist, for Prevention of Relapse to Smoking).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 368.82
Monoisotopic: 368.0927701 - Chemical Formula
- C20H17ClN2O3
- Synonyms
- Not Available
- External IDs
- GW468816
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
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3WGI8FOO62
- CAS number
- 476689-77-7
- InChI Key
- XDKRVNKVAKCFGW-WXWBBQJKSA-N
- InChI
- InChI=1S/C20H17ClN2O3/c21-12-6-7-14-16(11-18(20(25)26)22-17(14)10-12)15-8-9-23(19(15)24)13-4-2-1-3-5-13/h1-7,10,18,22H,8-9,11H2,(H,25,26)/b16-15+/t18-/m1/s1
- IUPAC Name
- (2R)-7-chloro-4-[(3E)-2-oxo-1-phenylpyrrolidin-3-ylidene]-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
- SMILES
- OC(=O)[C@H]1C\C(=C2\CCN(C2=O)C2=CC=CC=C2)C2=CC=C(Cl)C=C2N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 8082983
- ChEMBL
- CHEMBL1206161
- ZINC
- ZINC000003982522
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Prevention Nicotine Dependence 1
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 0.0438 mg/mL ALOGPS logP 3.21 ALOGPS logP 2.95 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 3.87 Chemaxon pKa (Strongest Basic) 0.75 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 69.64 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 100.46 m3·mol-1 Chemaxon Polarizability 38.14 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
- 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 splash10-014i-0009000000-f1031d7e13e289df2622 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0019000000-110cf43394849e19eab2 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0029000000-b305d1ce560f8e77a6ba Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-1292000000-46f05aa41aa4c22b5993 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-2009000000-9b6f1fb7326229f358a4 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-008c-7369000000-239706e33984bd8068e9 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 May 20, 2019 14:49 / Updated at June 12, 2020 16:53