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
- Davunetide
- DrugBank Accession Number
- DB12613
- Background
Davunetide has been used in trials studying the treatment of Progressive Nonfluent Aphasia, Progressive Supranuclear Palsy, Predicted Tauopathies, Including, Corticobasal Degeneration Syndrome, and Frontotemporal Dementia With Parkinsonism Linked to Chromosome 17.
Davunetide is the first drug to improve memory performance by impacting the mechanisms that lead to physical damage in the brain caused by neurofibrillary tangles, one of the two established pathological hallmarks that are common to amnestic mild cognitive impairment (aMCI) and Alzheimer's disease (AD). Davunetide is derived from a naturally occurring neuroprotective brain protein known as activity dependent neuroprotective protein.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Davunetide (DB12613)
- Weight
- Average: 824.934
Monoisotopic: 824.439217412 - Chemical Formula
- C36H60N10O12
- Synonyms
- Davunetide
- External IDs
- AL-108
- AL-208
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
Davunetide interacts with microtubules 1) preventing the formation of neurofibrillary tanges and protecting the network from a 'death signal' or 2) repairing the network if the brain cell death process has already begun. The restoration of the microtubule network explains the results shown in treated animals which have improved cognitive performance compared to untreated groups.
- 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Oligopeptides
- Alternative Parents
- Glutamine and derivatives / Isoleucine and derivatives / Asparagine and derivatives / Valine and derivatives / Proline and derivatives / Serine and derivatives / Alpha amino acid amides / N-acyl-L-glutamines / Pyrrolidinecarboxamides / N-acylpyrrolidines show 16 more
- Substituents
- Alcohol / Aliphatic heteromonocyclic compound / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-oligopeptide / Amine / Amino acid / Amino acid or derivatives / Asparagine or derivatives / Azacycle show 38 more
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- GF00K3IIWE
- CAS number
- 211439-12-2
- InChI Key
- DWLTUUXCVGVRAV-XWRHUKJGSA-N
- InChI
- InChI=1S/C36H60N10O12/c1-6-18(4)28(35(56)46-14-8-9-23(46)31(52)41-21(36(57)58)11-12-25(38)48)44-30(51)22(16-47)42-33(54)27(17(2)3)43-32(53)24-10-7-13-45(24)34(55)19(5)40-29(50)20(37)15-26(39)49/h17-24,27-28,47H,6-16,37H2,1-5H3,(H2,38,48)(H2,39,49)(H,40,50)(H,41,52)(H,42,54)(H,43,53)(H,44,51)(H,57,58)/t18-,19-,20-,21-,22-,23-,24-,27-,28-/m0/s1
- IUPAC Name
- (2S)-2-{[(2S)-1-[(2S,3S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-hydroxypropanamido]-3-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanoic acid
- SMILES
- CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 9832404
- PubChem Substance
- 347828827
- ChemSpider
- 8008132
- ChEMBL
- CHEMBL2103826
- ZINC
- ZINC000085540112
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 Mild Cognitive Impairment (MCI) 1 somestatus stop reason just information to hide 2 Completed Treatment Mild Cognitive Impairment, So Stated 1 somestatus stop reason just information to hide 2 Completed Treatment Schizophrenia 1 somestatus stop reason just information to hide 2, 3 Completed Treatment Progressive Supranuclear Palsy (PSP) 1 somestatus stop reason just information to hide 1 Completed Treatment Corticobasal Degeneration Syndrome (CBD) / Frontotemporal Dementia With Parkinsonism Linked to Chromosome 17 / Nonfluent Aphasia, Progressive / Predicted Tauopathies, Including / Progressive Supranuclear Palsy (PSP) 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 Water Solubility 0.343 mg/mL ALOGPS logP -2.6 ALOGPS logP -7.5 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 3.33 Chemaxon pKa (Strongest Basic) 7.05 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 13 Chemaxon Hydrogen Donor Count 10 Chemaxon Polar Surface Area 355.85 Å2 Chemaxon Rotatable Bond Count 22 Chemaxon Refractivity 201.56 m3·mol-1 Chemaxon Polarizability 82.56 Å3 Chemaxon Number of Rings 2 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 278.79996 predictedDeepCCS 1.0 (2019) [M+H]+ 280.5587 predictedDeepCCS 1.0 (2019) [M+Na]+ 286.85263 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 23:13 / Updated at February 21, 2021 18:53