MN-305
Identification
- Generic Name
- MN-305
- DrugBank Accession Number
- DB05339
- Background
MN-305 is a novel, potent and highly selective serotonin 5-HT1A receptor agonist under development by MediciNova for the treatment of anxiety disorders beginning with Generalized Anxiety Disorder (GAD).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 379.835
Monoisotopic: 379.118650526 - Chemical Formula
- C19H22ClNO5
- Synonyms
- Not Available
Pharmacology
- Indication
Investigated for use/treatment in anxiety disorders, depression, insomnia, and neurologic disorders.
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- Pharmacodynamics
Not Available
- Mechanism of action
MN-305 is a potent and highly-selective full agonist at the serotonin 5-HT1A receptor under development by MediciNova both for the treatment of insomnia, as well as for anxiety disorders such as Generalized Anxiety Disorder (GAD). MN-305 has been evaluated in an extensive preclinical toxicology program which showed no evidence of inducing genetic mutations, immune response or cancer. MN-305 has also proved to be consistently well-tolerated in clinical safety, efficacy and pharmacokinetic studies in over 1,200 subjects.
Target Actions Organism U5-hydroxytryptamine receptor 1A Not Available Humans - 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzodioxanes
- Sub Class
- Benzo-1,4-dioxanes
- Direct Parent
- Benzo-1,4-dioxanes
- Alternative Parents
- Benzodioxoles / Alkyl aryl ethers / Para dioxins / Benzenoids / Oxacyclic compounds / Dialkylamines / Acetals / Organopnictogen compounds / Hydrochlorides / Hydrocarbon derivatives
- Substituents
- Acetal / Alkyl aryl ether / Amine / Aromatic heteropolycyclic compound / Benzenoid / Benzo-1,4-dioxane / Benzodioxole / Ether / Hydrocarbon derivative / Hydrochloride
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- F0WKFYPQL8
- CAS number
- Not Available
- InChI Key
- GGNCUSDIUUCNKE-RSAXXLAASA-N
- InChI
- InChI=1S/C19H21NO5.ClH/c1-2-5-18-16(4-1)22-12-15(25-18)11-20-8-3-9-21-14-6-7-17-19(10-14)24-13-23-17;/h1-2,4-7,10,15,20H,3,8-9,11-13H2;1H/t15-;/m0./s1
- IUPAC Name
- [3-(2H-1,3-benzodioxol-5-yloxy)propyl]({[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl})amine hydrochloride
- SMILES
- Cl.C(CNC[C@H]1COC2=CC=CC=C2O1)COC1=CC2=C(OCO2)C=C1
References
- General References
- Kittner B: Clinical trials of propentofylline in vascular dementia. European/Canadian Propentofylline Study Group. Alzheimer Dis Assoc Disord. 1999 Oct-Dec;13 Suppl 3:S166-71. [Article]
- External Links
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0729 mg/mL ALOGPS logP 2.43 ALOGPS logP 2.51 Chemaxon logS -3.7 ALOGPS pKa (Strongest Basic) 9.1 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 58.18 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 90.59 m3·mol-1 Chemaxon Polarizability 37.06 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9919 Blood Brain Barrier + 0.8608 Caco-2 permeable - 0.5296 P-glycoprotein substrate Substrate 0.6609 P-glycoprotein inhibitor I Inhibitor 0.6324 P-glycoprotein inhibitor II Inhibitor 0.6917 Renal organic cation transporter Non-inhibitor 0.5443 CYP450 2C9 substrate Non-substrate 0.8682 CYP450 2D6 substrate Non-substrate 0.5908 CYP450 3A4 substrate Non-substrate 0.5468 CYP450 1A2 substrate Inhibitor 0.847 CYP450 2C9 inhibitor Non-inhibitor 0.8063 CYP450 2D6 inhibitor Inhibitor 0.6393 CYP450 2C19 inhibitor Non-inhibitor 0.5995 CYP450 3A4 inhibitor Inhibitor 0.7406 CYP450 inhibitory promiscuity High CYP Inhibitory Promiscuity 0.7527 Ames test Non AMES toxic 0.5577 Carcinogenicity Non-carcinogens 0.9219 Biodegradation Not ready biodegradable 0.9284 Rat acute toxicity 2.6018 LD50, mol/kg Not applicable hERG inhibition (predictor I) Strong inhibitor 0.6893 hERG inhibition (predictor II) Non-inhibitor 0.5399
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 177.9576 predictedDeepCCS 1.0 (2019) [M+H]+ 180.3156 predictedDeepCCS 1.0 (2019) [M+Na]+ 187.53258 predictedDeepCCS 1.0 (2019)
Targets
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Serotonin receptor activity
- Specific Function
- G-protein coupled receptor for 5-hydroxytryptamine (serotonin). Also functions as a receptor for various drugs and psychoactive substances. Ligand binding causes a conformation change that triggers...
- Gene Name
- HTR1A
- Uniprot ID
- P08908
- Uniprot Name
- 5-hydroxytryptamine receptor 1A
- Molecular Weight
- 46106.335 Da
Drug created at November 18, 2007 18:24 / Updated at June 12, 2020 16:52