ME-344

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
ME-344
Accession Number
DB13062
Type
Small Molecule
Groups
Investigational
Description

ME-344 has been used in trials studying the treatment of Solid Tumors.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
843G0TDV51
CAS number
1374524-68-1
Weight
Average: 348.398
Monoisotopic: 348.136159124
Chemical Formula
C22H20O4
InChI Key
QVCAATSEPLQVBX-FPOVZHCZSA-N
InChI
InChI=1S/C22H20O4/c1-13-20(25)11-10-18-21(15-4-8-17(24)9-5-15)19(12-26-22(13)18)14-2-6-16(23)7-3-14/h2-11,19,21,23-25H,12H2,1H3/t19-,21-/m0/s1
IUPAC Name
(3R,4S)-3,4-bis(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-1-benzopyran-7-ol
SMILES
CC1=C(O)C=CC2=C1OC[C@H]([C@H]2C1=CC=C(O)C=C1)C1=CC=C(O)C=C1

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
68026984
PubChem Substance
347829190
ChemSpider
32698441

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0RecruitingBasic ScienceCancer, Breast / Early-Stage Breast Carcinoma / Human Epidermal Growth Factor 2 Negative Carcinoma of Breast1
1CompletedTreatmentTumors, Solid1
1, 2TerminatedTreatmentTumors, Solid1

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 Solubility0.00747 mg/mLALOGPS
logP3.87ALOGPS
logP4.82ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)9.58ChemAxon
pKa (Strongest Basic)-4.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area69.92 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity100.63 m3·mol-1ChemAxon
Polarizability36.89 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as isoflavanols. These are polycyclic compounds containing a hydroxylated isoflavan skeleton.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Isoflavonoids
Sub Class
Isoflavans
Direct Parent
Isoflavanols
Alternative Parents
Hydroxyisoflavonoids / Neoflavans / Stilbenes / 1-benzopyrans / Alkyl aryl ethers / 1-hydroxy-2-unsubstituted benzenoids / Benzene and substituted derivatives / Oxacyclic compounds / Hydrocarbon derivatives
Substituents
Hydroxyisoflavonoid / Isoflavanol / Neoflavonoid skeleton / Neoflavan / Stilbene / Chromane / Benzopyran / 1-benzopyran / 1-hydroxy-2-unsubstituted benzenoid / Alkyl aryl ether
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 20:32 / Updated on June 04, 2019 07:47