PF-05212377
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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
- PF-05212377
- DrugBank Accession Number
- DB16044
- Background
PF-05212377 is under investigation in clinical trial NCT01712074 (Study Evaluating Thesafety and Efficacy of PF-05212377 or Placebo in Subjects With Alzheimer's Disease With Existing Neuropsychiatric Symptoms on Donepezil).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 356.44
Monoisotopic: 356.130697074 - Chemical Formula
- C18H20N4O2S
- Synonyms
- Not Available
- External IDs
- PF-05212377
- PF-5212377
- SAM-760
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 4JEH3BL51N
- CAS number
- 1226793-34-5
- InChI Key
- MAYQIFVKVAUMPD-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3
- IUPAC Name
- 1-(benzenesulfonyl)-2-methyl-4-(piperazin-1-yl)-1H-1,3-benzodiazole
- SMILES
- CC1=NC2=C(C=CC=C2N1S(=O)(=O)C1=CC=CC=C1)N1CCNCC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 58115875
- BindingDB
- 50044615
- ChEMBL
- CHEMBL3329435
- ZINC
- ZINC000115662114
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Treatment Alzheimer's Disease (AD) 1 1 Completed Not Available Healthy Volunteers (HV) 1 1 Completed Basic Science Healthy Volunteers (HV) 2 1 Completed Other Healthy Volunteers (HV) 1 1 Completed Treatment Healthy Volunteers (HV) 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 0.353 mg/mL ALOGPS logP 1.73 ALOGPS logP 1.88 Chemaxon logS -3 ALOGPS pKa (Strongest Basic) 8.8 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 67.23 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 97.61 m3·mol-1 Chemaxon Polarizability 37.64 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 splash10-0a4i-0039000000-07634cc170b86e3fd1ee Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0209000000-af3bb74d1bc074e5d8d1 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0095000000-23851408d7fd83348716 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-02ai-0963000000-a01fefb5e35cc6636e38 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-02k9-2935000000-4d9acc384f2eaa1bc426 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-01ox-2901000000-182d0697023cc8c5f079 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 December 15, 2020 18:03 / Updated at December 20, 2020 03:35