PF-00446687
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- PF-00446687
- DrugBank Accession Number
- DB12517
- Background
PF-00446687 has been investigated for the treatment of Erectile Dysfunction.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 470.605
Monoisotopic: 470.274484733 - Chemical Formula
- C28H36F2N2O2
- Synonyms
- Not Available
- External IDs
- (-)-PF-00446687
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Piperidines
- Sub Class
- Phenylpiperidines
- Direct Parent
- Phenylpiperidines
- Alternative Parents
- Phenylpyrrolidines / N-acylpiperidines / Pyrrolidinecarboxamides / Aralkylamines / Fluorobenzenes / Aryl fluorides / N-alkylpyrrolidines / Tertiary carboxylic acid amides / Tertiary alcohols / Pyrroles show 7 more
- Substituents
- 3-phenylpyrrolidine / Alcohol / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid show 25 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 63P236Z73I
- CAS number
- 862281-92-3
- InChI Key
- WHPJOAUPIZDJNX-AGGGUQDCSA-N
- InChI
- InChI=1S/C28H36F2N2O2/c1-18-14-31(15-19(2)28(18,34)20-9-7-6-8-10-20)26(33)24-17-32(27(3,4)5)16-23(24)22-12-11-21(29)13-25(22)30/h6-13,18-19,23-24,34H,14-17H2,1-5H3/t18-,19+,23-,24+,28-/m0/s1
- IUPAC Name
- (3R,4s,5S)-1-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-3,5-dimethyl-4-phenylpiperidin-4-ol
- SMILES
- C[C@H]1CN(C[C@@H](C)[C@]1(O)C1=CC=CC=C1)C(=O)[C@@H]1CN(C[C@H]1C1=CC=C(F)C=C1F)C(C)(C)C
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11328898
- PubChem Substance
- 347828747
- ChemSpider
- 24669573
- BindingDB
- 50315692
- ChEMBL
- CHEMBL1090488
- ZINC
- ZINC000101338048
- Wikipedia
- PF-00446687
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Erectile Dysfunction 1 somestatus stop reason just information to hide 2 Completed Treatment Female Sexual Dysfunction (FSD) 1 somestatus stop reason just information to hide
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 0.00863 mg/mL ALOGPS logP 4.78 ALOGPS logP 4.38 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 13.64 Chemaxon pKa (Strongest Basic) 9.05 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 43.78 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 131.09 m3·mol-1 Chemaxon Polarizability 50.68 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 splash10-0udi-0004900000-4f26c21650e8fa666f07 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0000900000-fa1b31603caa530f5892 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0w2a-0164900000-efc391184158c9f50a63 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014r-0829600000-18a85a3e408eee814ccf Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-067l-3956400000-d6d84f2d0805f2f58eac Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0231-0398500000-7270d2321a3530d59c45 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 215.6563 predictedDeepCCS 1.0 (2019) [M+H]+ 217.55171 predictedDeepCCS 1.0 (2019) [M+Na]+ 223.23558 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:41 / Updated at June 12, 2020 16:53