ASC-JM-17
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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
- 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
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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 64854816
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Healthy Volunteers (HV) 1 1, 2 Active Not Recruiting Treatment Spinal 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
Property Value Source Water Solubility 0.000195 mg/mL ALOGPS logP 5.28 ALOGPS logP 6.12 Chemaxon logS -6.4 ALOGPS pKa (Strongest Acidic) 10.2 Chemaxon pKa (Strongest Basic) -4.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 71.06 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 133.9 m3·mol-1 Chemaxon Polarizability 52.02 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 13, 2022 21:44 / Updated at July 18, 2023 22:58