Lysergic acid 2,4-dimethylazetidide

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Lysergic acid 2,4-dimethylazetidide
DrugBank Accession Number
DB15196
Background

Lysergic acid 2,4-dimethylazetidide is under investigation in clinical trial NCT02765802 (A Study to Evaluate Pegylated Interferon Lambda Monotherapy in Patients With Chronic Hepatitis Delta Virus Infection).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 335.451
Monoisotopic: 335.199762437
Chemical Formula
C21H25N3O
Synonyms
  • LAMBDA

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
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
8SWJ525W4R
CAS number
Not Available
InChI Key
DUKNIHFTDAXJON-CTQRGLTFSA-N
InChI
InChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3/t12-,13-,15+,19+/m0/s1
IUPAC Name
(4R,7R)-4-[(2S,4S)-2,4-dimethylazetidine-1-carbonyl]-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(15),2,9,12(16),13-pentaene
SMILES
C[C@H]1C[C@H](C)N1C(=O)[C@H]1CN(C)[C@@H]2CC3=CNC4=C3C(=CC=C4)C2=C1

References

General References
Not Available
ChemSpider
30773535
ZINC
ZINC000013491360
Wikipedia
Lysergic_acid_2,4-dimethylazetidide

Clinical Trials

Clinical Trials
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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
PropertyValueSource
Water Solubility0.205 mg/mLALOGPS
logP2.92ALOGPS
logP2.29Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)17.02Chemaxon
pKa (Strongest Basic)7.91Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area39.34 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity100.97 m3·mol-1Chemaxon
Polarizability38.15 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:58 / Updated at September 20, 2024 04:29