AB-001
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- AB-001
- DrugBank Accession Number
- DB18009
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 396.439
Monoisotopic: 396.157288493 - Chemical Formula
- C23H24O6
- Synonyms
- (1E, 4E, 6E)-1-(3, 5-dimethoxyphenyl)- 7-(4-hydroxy-3, 5dimethoxyphenyl) hepta- 1, 4, 6-trien-3-one
- External IDs
- AB 001
- AB-001
- AB001
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- TNM7KA4LB3
- CAS number
- 2663700-89-6
- InChI Key
- LJSMCOGLALRQKD-BISOHRNISA-N
- InChI
- InChI=1S/C23H24O6/c1-26-19-11-17(12-20(15-19)27-2)9-10-18(24)8-6-5-7-16-13-21(28-3)23(25)22(14-16)29-4/h5-15,25H,1-4H3/b7-5+,8-6+,10-9+
- IUPAC Name
- (1E,4E,6E)-1-(3,5-dimethoxyphenyl)-7-(4-hydroxy-3,5-dimethoxyphenyl)hepta-1,4,6-trien-3-one
- SMILES
- COC1=CC(\C=C\C(=O)\C=C\C=C\C2=CC(OC)=C(O)C(OC)=C2)=CC(OC)=C1
References
- General References
- Not Available
- External Links
- ChEMBL
- CHEMBL5095207
- Wikipedia
- AB-001
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Treatment Chronic Lower Back Pain (CLBP) 1 somestatus stop reason just information to hide 1 Completed Treatment Chronic Lower Back Pain (CLBP) 1 somestatus stop reason just information to hide
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 logP 4.42 Chemaxon pKa (Strongest Acidic) 9 Chemaxon pKa (Strongest Basic) -4.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 74.22 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 115.18 m3·mol-1 Chemaxon Polarizability 44.14 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 06, 2023 20:51 / Updated at September 07, 2023 18:09