Etrinabdione
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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
- Etrinabdione
- DrugBank Accession Number
- DB18008
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 433.592
Monoisotopic: 433.261693991 - Chemical Formula
- C28H35NO3
- Synonyms
- (1'r,6'r)-3-(benzylamine)-6-hydroxy-3'-methyl-4-pentyl-6'-(prop-1-en-2-yl)-(1,1'-bi(cyclohexane))-2',3,6-triene-2,5-dione
- (1'r,6'r)-3-(benzylamino)-6-hydroxy-3'-methyl-4-pentyl-6'-(prop-1-en-2-yl)-(1,1'-bi(cyclohexane))-2',3,6-triene-2,5-dione
- 2,5-cyclohexadiene-1,4-dione, 2-hydroxy-3-((1r,6r)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-6-pentyl-5-((phenylmethyl)amino)-
- External IDs
- EHP-101
- VCE-004
- VCE-004.8
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- KTJCIKNF3F
- CAS number
- 1818428-24-8
- InChI Key
- NTGIXJASMBWXRO-JTHBVZDNSA-N
- InChI
- InChI=1S/C28H35NO3/c1-5-6-8-13-22-25(29-17-20-11-9-7-10-12-20)27(31)24(28(32)26(22)30)23-16-19(4)14-15-21(23)18(2)3/h7,9-12,16,21,23,29,32H,2,5-6,8,13-15,17H2,1,3-4H3/t21-,23-/m1/s1
- IUPAC Name
- (1'R,6'R)-3-(benzylamino)-6-hydroxy-3'-methyl-4-pentyl-6'-(prop-1-en-2-yl)-[1,1'-bi(cyclohexane)]-1(6),2',3-triene-2,5-dione
- SMILES
- CCCCCC1=C(NCC2=CC=CC=C2)C(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 78317727
- BindingDB
- 482299
- Wikipedia
- Etrinabdione
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Suspended Treatment Relapsing Multiple Sclerosis (RMS) 1 1 Completed Treatment Healthy Volunteers (HV) 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 logP 6.23 Chemaxon pKa (Strongest Acidic) 5.66 Chemaxon pKa (Strongest Basic) -5.3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 66.4 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 133.15 m3·mol-1 Chemaxon Polarizability 50.78 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 06, 2023 20:49 / Updated at September 07, 2023 18:09