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Identification
NameMN-305
Accession NumberDB05339
TypeSmall Molecule
GroupsInvestigational
DescriptionMN-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).
Structure
Thumb
SynonymsNot Available
External Identifiers Not Available
Approved Prescription ProductsNot Available
Approved Generic Prescription ProductsNot Available
Approved Over the Counter ProductsNot Available
Unapproved/Other Products Not Available
International BrandsNot Available
Brand mixturesNot Available
SaltsNot Available
CategoriesNot Available
UNIINot Available
CAS numberNot Available
WeightAverage: 379.835
Monoisotopic: 379.118650526
Chemical FormulaC19H22ClNO5
InChI KeyGGNCUSDIUUCNKE-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-ylmethyl]amine hydrochloride
SMILES
Cl.C(CNC[[email protected]]1COC2=CC=CC=C2O1)COC1=CC2=C(OCO2)C=C1
Pharmacology
IndicationInvestigated for use/treatment in anxiety disorders, depression, insomnia, and neurologic disorders.
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionMN-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.
TargetKindPharmacological actionActionsOrganismUniProt ID
5-hydroxytryptamine receptor 1AProteinunknownNot AvailableHumanP08908 details
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
Interactions
Drug InteractionsNot Available
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General References
  1. 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. [PubMed:10609697 ]
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
ADMET
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.9919
Blood Brain Barrier+0.8608
Caco-2 permeable-0.5296
P-glycoprotein substrateSubstrate0.6609
P-glycoprotein inhibitor IInhibitor0.6324
P-glycoprotein inhibitor IIInhibitor0.6917
Renal organic cation transporterNon-inhibitor0.5443
CYP450 2C9 substrateNon-substrate0.8682
CYP450 2D6 substrateNon-substrate0.5908
CYP450 3A4 substrateNon-substrate0.5468
CYP450 1A2 substrateInhibitor0.847
CYP450 2C9 inhibitorNon-inhibitor0.8063
CYP450 2D6 inhibitorInhibitor0.6393
CYP450 2C19 inhibitorNon-inhibitor0.5995
CYP450 3A4 inhibitorInhibitor0.7406
CYP450 inhibitory promiscuityHigh CYP Inhibitory Promiscuity0.7527
Ames testNon AMES toxic0.5577
CarcinogenicityNon-carcinogens0.9219
BiodegradationNot ready biodegradable0.9284
Rat acute toxicity2.6018 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Strong inhibitor0.6893
hERG inhibition (predictor II)Non-inhibitor0.5399
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397 )
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
StateSolid
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
logP2.51ChemAxon
pKa (Strongest Basic)9.1ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area58.18 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity90.59 m3·mol-1ChemAxon
Polarizability37.06 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Mass Spec (NIST)Not Available
SpectraNot Available
Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as benzo-p-dioxins. These are organic compounds containing a benzene ring fused to a 1,4-dioxin ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzodioxins
Sub ClassBenzo-p-dioxins
Direct ParentBenzo-p-dioxins
Alternative Parents
Substituents
  • Benzodioxane
  • Benzo-p-dioxin
  • Benzo-1,4-dioxane
  • Benzodioxole
  • Alkyl aryl ether
  • Benzenoid
  • Para-dioxin
  • Oxacycle
  • Secondary amine
  • Ether
  • Secondary aliphatic amine
  • Acetal
  • Hydrocarbon derivative
  • Hydrochloride
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available

Targets

Kind
Protein
Organism
Human
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 signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of down-stream effectors, such as adenylate cyclase. Beta-arrestin family members inhibit signaling via G pro...
Gene Name:
HTR1A
Uniprot ID:
P08908
Molecular Weight:
46106.335 Da
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Drug created on November 18, 2007 11:24 / Updated on August 17, 2016 12:24