NAV

Dimethylaminomicheliolide

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

Identification

Generic Name
Dimethylaminomicheliolide
DrugBank Accession Number
DB17111
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 293.407
Monoisotopic: 293.199093733
Chemical Formula
C17H27NO3
Synonyms
  • 11.BETA.,13-DIHYDRO-13-(DIMETHYLAMINO)MICHELIOLIDE
  • AZULENO(4,5-B)FURAN-2(3H)-ONE, 3-((DIMETHYLAMINO)METHYL)-3A,4,5,7,8,9,9A,9B-OCTAHYDRO-9-HYDROXY-6,9-DIMETHYL-, (3R,3AS,9R,9AS,9BS)-
External IDs
  • ACT 001
  • ACT-001
  • ACT001
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Pharmacology

Indication

Not Available

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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Dimethylaminomicheliolide fumarateKM6239D2QV1582289-91-5PDWGVXJIDIRQME-DCNFBYMVSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
580BNQ45EO
CAS number
1403357-81-2
InChI Key
ZPBIJIIQXPRJSS-WNZSCWOMSA-N
InChI
InChI=1S/C17H27NO3/c1-10-5-6-12-13(9-18(3)4)16(19)21-15(12)14-11(10)7-8-17(14,2)20/h12-15,20H,5-9H2,1-4H3/t12-,13-,14-,15-,17+/m0/s1
IUPAC Name
(3R,3aS,9R,9aS,9bS)-3-[(dimethylamino)methyl]-9-hydroxy-6,9-dimethyl-2H,3H,3aH,4H,5H,7H,8H,9H,9aH,9bH-azuleno[4,5-b]furan-2-one
SMILES
[H][C@@]12CCC(C)=C3CC[C@@](C)(O)[C@]3([H])[C@@]1([H])OC(=O)[C@H]2CN(C)C

References

General References
Not Available
ChemSpider
28652571
ChEMBL
CHEMBL2220079
ZINC
ZINC000095560340

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2RecruitingTreatmentRecurrent Glioblastoma Multiforme (GBM)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
logP1.26Chemaxon
pKa (Strongest Acidic)14.63Chemaxon
pKa (Strongest Basic)9.26Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area49.77 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity82.36 m3·mol-1Chemaxon
Polarizability33.51 Å3Chemaxon
Number of Rings3Chemaxon
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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 15, 2022 21:05 / Updated at September 28, 2023 05:47