This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- N-oleoyldopamine
- DrugBank Accession Number
- DB17036
- Background
N-oleoyldopamine (OLDA) is an amide of dopamine and oleic acid.1
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for N-oleoyldopamine (DB17036)
- Weight
- Average: 417.634
Monoisotopic: 417.324294249 - Chemical Formula
- C26H43NO3
- Synonyms
- (9z)- n-(2-(3,4-dihydroxyphenyl)ethyl)-9-octadecenamide
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
- T87P7X9XSZ
- CAS number
- 105955-11-1
- InChI Key
- QQBPLXNESPTPNU-KTKRTIGZSA-N
- InChI
- InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h9-10,18-19,22,28-29H,2-8,11-17,20-21H2,1H3,(H,27,30)/b10-9-
- IUPAC Name
- (9Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadec-9-enamide
- SMILES
- CCCCCCCC\C=C/CCCCCCCC(=O)NCCC1=CC=C(O)C(O)=C1
References
- General References
- Sergeeva OA, De Luca R, Mazur K, Chepkova AN, Haas HL, Bauer A: N-oleoyldopamine modulates activity of midbrain dopaminergic neurons through multiple mechanisms. Neuropharmacology. 2017 Jun;119:111-122. doi: 10.1016/j.neuropharm.2017.04.011. Epub 2017 Apr 9. [Article]
- External Links
- KEGG Compound
- C12272
- ChemSpider
- 4445315
- BindingDB
- 50215899
- ChEBI
- 31883
- ChEMBL
- CHEMBL250711
- ZINC
- ZINC000008035014
Clinical Trials
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 0.000275 mg/mL ALOGPS logP 8.04 ALOGPS logP 7.61 Chemaxon logS -6.2 ALOGPS pKa (Strongest Acidic) 9.29 Chemaxon pKa (Strongest Basic) -1.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 69.56 Å2 Chemaxon Rotatable Bond Count 18 Chemaxon Refractivity 127.45 m3·mol-1 Chemaxon Polarizability 52.84 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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 October 11, 2022 17:30 / Updated at December 01, 2022 11:34