Ormeloxifene

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

Identification

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Name
Ormeloxifene
Accession Number
DB13310
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
Categories
UNII
9512UKZ352
CAS number
31477-60-8
Weight
Average: 457.614
Monoisotopic: 457.261693991
Chemical Formula
C30H35NO3
InChI Key
XZEUAXYWNKYKPL-WDYNHAJCSA-N
InChI
InChI=1S/C30H35NO3/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3/t28-,29+/m1/s1
IUPAC Name
1-(2-{4-[(3R,4R)-7-methoxy-2,2-dimethyl-3-phenyl-3,4-dihydro-2H-1-benzopyran-4-yl]phenoxy}ethyl)pyrrolidine
SMILES
[H][C@@]1(C2=CC=C(OCCN3CCCC3)C=C2)C2=C(OC(C)(C)[C@@]1([H])C1=CC=CC=C1)C=C(OC)C=C2

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(R)-warfarinThe therapeutic efficacy of (R)-warfarin can be increased when used in combination with Ormeloxifene.
(S)-WarfarinThe therapeutic efficacy of (S)-Warfarin can be increased when used in combination with Ormeloxifene.
4-hydroxycoumarinThe therapeutic efficacy of 4-hydroxycoumarin can be increased when used in combination with Ormeloxifene.
AbciximabThe therapeutic efficacy of Abciximab can be increased when used in combination with Ormeloxifene.
AcenocoumarolThe therapeutic efficacy of Acenocoumarol can be increased when used in combination with Ormeloxifene.
AcetaminophenThe metabolism of Ormeloxifene can be increased when combined with Acetaminophen.
Acetylsalicylic acidThe therapeutic efficacy of Acetylsalicylic acid can be increased when used in combination with Ormeloxifene.
AldosteroneThe serum concentration of Aldosterone can be increased when it is combined with Ormeloxifene.
AlimemazineThe metabolism of Ormeloxifene can be increased when combined with Alimemazine.
AlpelisibThe metabolism of Ormeloxifene can be increased when combined with Alpelisib.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
32935
BindingDB
50219398
ChEMBL
CHEMBL301327
Wikipedia
Ormeloxifene
ATC Codes
G03XC04 — Ormeloxifene

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.000102 mg/mLALOGPS
logP6.75ALOGPS
logP6.03ChemAxon
logS-6.6ALOGPS
pKa (Strongest Basic)9ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area30.93 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity137.19 m3·mol-1ChemAxon
Polarizability53.38 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
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/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

Taxonomy

Description
This compound belongs to the class of organic compounds known as 7-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C7 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Isoflavonoids
Sub Class
O-methylated isoflavonoids
Direct Parent
7-O-methylated isoflavonoids
Alternative Parents
Neoflavans / Isoflavans / Stilbenes / 2,2-dimethyl-1-benzopyrans / Phenoxy compounds / Anisoles / Alkyl aryl ethers / N-alkylpyrrolidines / Trialkylamines / Oxacyclic compounds
show 3 more
Substituents
7-methoxyisoflavonoid-skeleton / Isoflavan / Neoflavan / Neoflavonoid skeleton / Stilbene / 2,2-dimethyl-1-benzopyran / Chromane / Benzopyran / 1-benzopyran / Phenoxy compound
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:39 / Updated on June 04, 2019 07:50