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Leptazoline A

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

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Data Packages
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Identification

Generic Name
Leptazoline A
DrugBank Accession Number
DB15551
Background

Leptazoline A is a polar oxazoline from the Cyanobacterium Leptolyngbya sp. Also see Leptazoline B, Leptazoline C, and Leptazoline D.

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 299.71
Monoisotopic: 299.0560503
Chemical Formula
C13H14ClNO5
Synonyms
Not Available
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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
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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
Not Available
CAS number
Not Available
InChI Key
ZFAIHGMUJXZHDW-ISROVCFRSA-N
InChI
InChI=1S/C13H14ClNO5/c1-6-12(10(17)5-11(18)19)15-13(20-6)8-4-7(14)2-3-9(8)16/h2-4,6,10,12,16-17H,5H2,1H3,(H,18,19)/t6-,10+,12+/m0/s1
IUPAC Name
(3R)-3-[(4S,5S)-2-(5-chloro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-3-hydroxypropanoic acid
SMILES
C[C@@H]1OC(=N[C@H]1[C@H](O)CC(O)=O)C1=CC(Cl)=CC=C1O

References

General References
Not Available
ChemSpider
81361126

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 Solubility0.401 mg/mLALOGPS
logP1.51ALOGPS
logP2.32Chemaxon
logS-2.9ALOGPS
pKa (Strongest Acidic)3.66Chemaxon
pKa (Strongest Basic)1.23Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area99.35 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity70.96 m3·mol-1Chemaxon
Polarizability28.61 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01q9-0091000000-a53abd2985a5cac31d67
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ue9-0392000000-5eddf0719bdefaa017eb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01qj-2090000000-4c6bd2b033d6445e5823
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03e9-4190000000-454a3a44c4725f69f23d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-1920000000-dd5cccee42b3e83c6ba5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-9730000000-a68e5430680e6ffbe1ed
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 14, 2019 21:30 / Updated at June 12, 2020 16:53