Mirogabalin
Star1
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Mirogabalin
- DrugBank Accession Number
- DB11825
- Background
Mirogabalin has been used in trials studying the treatment of Post-herpetic Neuralgia, Pain Associated With Fibromyalgia, and Diabetic peripheral neuropathic pain.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 209.289
Monoisotopic: 209.141578856 - Chemical Formula
- C12H19NO2
- Synonyms
- Mirogabalin
- External IDs
- A200-0700
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
- ATC Codes
- N02BF03 — Mirogabalin
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Gamma amino acids and derivatives
- Alternative Parents
- Amino fatty acids / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Organic oxides / Monoalkylamines / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic homopolycyclic compound / Amine / Amino acid / Amino fatty acid / Carbonyl group / Carboxylic acid / Fatty acyl / Gamma amino acid or derivatives / Hydrocarbon derivative / Monocarboxylic acid or derivatives
- Molecular Framework
- Aliphatic homopolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- S7LK2KDM5U
- CAS number
- 1138245-13-2
- InChI Key
- FTBQORVNHOIASH-CKYFFXLPSA-N
- InChI
- InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1
- IUPAC Name
- 2-[(1R,5S,6S)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl]acetic acid
- SMILES
- CCC1=C[C@@H]2[C@@H](C[C@]2(CN)CC(O)=O)C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 59509752
- PubChem Substance
- 347828172
- ChemSpider
- 32701007
- ChEMBL
- CHEMBL3545125
- ZINC
- ZINC000113907790
- PDBe Ligand
- 8X9
- Wikipedia
- Mirogabalin
- PDB Entries
- 8if3
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Central Neuropathic Pain 1 3 Completed Treatment Diabetic Peripheral Neuropathic Pain (DPN) 2 3 Completed Treatment Diabetic Peripheral Neuropathic Pain (DPN) / Postherpetic Neuralgia 1 3 Completed Treatment Fibromyalgia 1 3 Completed Treatment Pain Associated With Fibromyalgia 3
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 1.53 mg/mL ALOGPS logP -1.4 ALOGPS logP -1.3 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 4.54 Chemaxon pKa (Strongest Basic) 9.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 63.32 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 59.02 m3·mol-1 Chemaxon Polarizability 23.43 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes 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 GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0536-9400000000-a47e8628a85816c37449 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0900000000-f2a69bb9307c28308fb2 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0190000000-0c4b385f53ab7c3f01d6 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-2900000000-15bc26e35a2990560af6 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-9680000000-eb80523e03242acd8a12 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-9500000000-2590f3a8bf08ae3b6b06 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-5900000000-8a3cee24369d32994b88 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 150.44954 predictedDeepCCS 1.0 (2019) [M+H]+ 152.84511 predictedDeepCCS 1.0 (2019) [M+Na]+ 158.76573 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:51 / Updated at February 21, 2021 18:53