4,6-dideoxy-4-amino-alpha-D-glucose

Identification

Generic Name: 4,6-dideoxy-4-amino-alpha-D-glucose
DrugBank Accession Number: DB03439
Background: Not Available
Type: Small Molecule
Groups: Experimental
Structure: 3D
MOL SDF 3D-SDF PDB SMILES InChI

Similar Structures
Structure for 4,6-dideoxy-4-amino-alpha-D-glucose (DB03439)
Synonyms: Not Available

Pharmacology

Indication

Not Available

Reduce drug development failure rates

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Contraindications & Blackbox Warnings

Avoid life-threatening adverse drug events

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Pharmacodynamics

Not Available

Mechanism of action

Target	Actions	Organism
UAlpha-amylase 1	Not Available	Humans
UPancreatic alpha-amylase	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

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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

Chemical TaxonomyProvided by Classyfire

Description: This compound belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
Kingdom: Organic compounds
Super Class: Organic oxygen compounds
Class: Organooxygen compounds
Sub Class: Carbohydrates and carbohydrate conjugates
Direct Parent: Hexoses
Alternative Parents: Aminosaccharides / Oxanes / Secondary alcohols / Hemiacetals / 1,2-diols / 1,2-aminoalcohols / Oxacyclic compounds / Organopnictogen compounds / Monoalkylamines / Hydrocarbon derivatives
Substituents: 1,2-aminoalcohol / 1,2-diol / Alcohol / Aliphatic heteromonocyclic compound / Amine / Amino saccharide / Hemiacetal / Hexose monosaccharide / Hydrocarbon derivative / Organic nitrogen compound
Molecular Framework: Aliphatic heteromonocyclic compounds
External Descriptors: Not Available

Affected organisms

Not Available

Chemical Identifiers

UNII: Not Available
CAS number: Not Available
InChI Key: RJKBJEZZABBYBA-DVKNGEFBSA-N
InChI: InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1
IUPAC Name: (2S,3R,4S,5S,6R)-5-amino-6-methyloxane-2,3,4-triol
SMILES: [H][C@]1(C)O[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])N

References

General References

Not Available

External Links

PubChem Compound: 444139
PubChem Substance: 46507710
ChemSpider: 392139
PDBe Ligand: AGL

PDB Entries

1cpu / 1mfu / 1mfv / 1nm9 / 1pig / 1qho / 1z32 / 3blk / 3blp / 3dhp …

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count

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	722.0 mg/mL	ALOGPS
logP	-2.1	ALOGPS
logP	-2	ChemAxon
logS	0.65	ALOGPS
pKa (Strongest Acidic)	11.32	ChemAxon
pKa (Strongest Basic)	8.56	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	95.94 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	36.04 m³·mol^-1	ChemAxon
Polarizability	15.74 Å³	ChemAxon
Number of Rings	1	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	Not Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	Not Available

Targets

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Details1. Alpha-amylase 1

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Metal ion binding
Specific Function: Not Available
Gene Name: AMY1A
Uniprot ID: P04745
Uniprot Name: Alpha-amylase 1
Molecular Weight: 57767.49 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details2. Pancreatic alpha-amylase

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Chloride ion binding
Specific Function: Not Available
Gene Name: AMY2A
Uniprot ID: P04746
Uniprot Name: Pancreatic alpha-amylase
Molecular Weight: 57706.51 Da

Enzymes

Details1. Pancreatic alpha-amylase

Kind: Protein
Organism: Humans
Pharmacological action: Unknown
Actions: Ligand

General Function: Chloride ion binding
Specific Function: Not Available
Gene Name: AMY2A
Uniprot ID: P04746
Uniprot Name: Pancreatic alpha-amylase
Molecular Weight: 57706.51 Da

References

Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]

Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52