NAV

ASC-JM-17

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

Identification

Generic Name
ASC-JM-17
DrugBank Accession Number
DB16931
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 464.558
Monoisotopic: 464.21988875
Chemical Formula
C28H32O6
Synonyms
  • (1e,6e)-1,7-bis(3,4-dimethoxyphenyl)-4-cyclobutylmethyl-1,6-heptadiene-3,5-dione
  • (1e,6e)-4-(cyclobutylmethyl)-1,7-bis(3,4-dimethoxyphenyl)-1,6-heptadiene-3,5-dione
  • 1,6-heptadiene-3,5-dione, 4-(cyclobutylmethyl)-1,7-bis(3,4-dimethoxyphenyl)-, (1e,6e)-
External IDs
  • AJ-201
  • AJ201
  • ALZ-002
  • ASC-JM-17
  • ASC-JM17
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Pharmacology

Indication

Not Available

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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
5VLL140BN9
CAS number
1039760-91-2
InChI Key
PJOSHEDKRPRCAE-QHKWOANTSA-N
InChI
InChI=1S/C28H32O6/c1-31-25-14-10-20(17-27(25)33-3)8-12-23(29)22(16-19-6-5-7-19)24(30)13-9-21-11-15-26(32-2)28(18-21)34-4/h8-15,17-19,22H,5-7,16H2,1-4H3/b12-8+,13-9+
IUPAC Name
(1E,6E)-4-(cyclobutylmethyl)-1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
SMILES
COC1=CC=C(\C=C\C(=O)C(CC2CCC2)C(=O)\C=C\C2=CC=C(OC)C(OC)=C2)C=C1OC

References

General References
Not Available
ChemSpider
64854816

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentHealthy Volunteers (HV)1
1, 2Active Not RecruitingTreatmentSpinal and Bulbar Muscular Atrophy (SBMA)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 Solubility0.000195 mg/mLALOGPS
logP5.28ALOGPS
logP6.12Chemaxon
logS-6.4ALOGPS
pKa (Strongest Acidic)10.2Chemaxon
pKa (Strongest Basic)-4.2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area71.06 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity133.9 m3·mol-1Chemaxon
Polarizability52.02 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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 13, 2022 21:44 / Updated at July 18, 2023 22:58