This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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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
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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
PubChem Compound
11328898
PubChem Substance
347828747
ChemSpider
24669573
BindingDB
50315692
ChEMBL
CHEMBL1090488
ZINC
ZINC000101338048
Wikipedia
PF-00446687

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentErectile Dysfunction1
2CompletedTreatmentFemale Sexual Dysfunction (FSD)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
PropertyValueSource
Water Solubility0.00863 mg/mLALOGPS
logP4.78ALOGPS
logP4.38ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)13.64ChemAxon
pKa (Strongest Basic)9.05ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area43.78 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity131.09 m3·mol-1ChemAxon
Polarizability50.68 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at October 20, 2016 22:41 / Updated at June 12, 2020 16:53