Fispemifene

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

Identification

Generic Name
Fispemifene
DrugBank Accession Number
DB06640
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 422.95
Monoisotopic: 422.1648724
Chemical Formula
C26H27ClO3
Synonyms
  • Fispemifene
External IDs
  • HM-101
  • HM-101A

Pharmacology

Indication

Investigated for use/treatment in male hormonal deficiencies/abnormalities.

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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 stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Stilbenes
Sub Class
Not Available
Direct Parent
Stilbenes
Alternative Parents
Diphenylmethanes / Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Dialkyl ethers / Primary alcohols / Organochlorides / Hydrocarbon derivatives / Alkyl chlorides
Substituents
Alcohol / Alkyl aryl ether / Alkyl chloride / Alkyl halide / Aromatic homomonocyclic compound / Benzenoid / Dialkyl ether / Diphenylmethane / Ether / Hydrocarbon derivative
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3VZ2833V08
CAS number
341524-89-8
InChI Key
NKZTZAQIKKGTDB-QPLCGJKRSA-N
InChI
InChI=1S/C26H27ClO3/c27-16-15-25(21-7-3-1-4-8-21)26(22-9-5-2-6-10-22)23-11-13-24(14-12-23)30-20-19-29-18-17-28/h1-14,28H,15-20H2/b26-25-
IUPAC Name
2-(2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}ethoxy)ethan-1-ol
SMILES
OCCOCCOC1=CC=C(C=C1)C(=C(\CCCl)C1=CC=CC=C1)\C1=CC=CC=C1

References

General References
Not Available
ChemSpider
8129643
ChEMBL
CHEMBL2107341
Wikipedia
Fispemifene

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentChronic Obstructive Pulmonary Disease (COPD) / Hypogonadisms1
2CompletedTreatmentErectile Dysfunction / Hypogonadisms1
2CompletedTreatmentHypogonadisms1
2Unknown StatusTreatmentErectile Dysfunction / Secondary Hypogonadotrophic hypogonadism / Sexual Dysfunctions1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000461 mg/mLALOGPS
logP5.71ALOGPS
logP5.51Chemaxon
logS-6ALOGPS
pKa (Strongest Acidic)15.12Chemaxon
pKa (Strongest Basic)-2.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area38.69 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity132.73 m3·mol-1Chemaxon
Polarizability47.41 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-00di-1014900000-7b5089fc1c68a98aef63
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000x-9000000000-0ce6616d4c03871c1843
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-052e-1039100000-3f70d1399e23f7d9f4d2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9002000000-e61a5e9a2a3655116c04
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0r2a-2492000000-d5de3f3d9bd78561bc76
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001j-5097000000-d00cc79a0dcf6d97c658
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-202.36574
predicted
DeepCCS 1.0 (2019)
[M+H]+204.72375
predicted
DeepCCS 1.0 (2019)
[M+Na]+212.37257
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:43 / Updated at February 21, 2021 18:52