NAV

C-(1-Azido-Alpha-D-Glucopyranosyl) Formamide

Identification

Generic Name
C-(1-Azido-Alpha-D-Glucopyranosyl) Formamide
DrugBank Accession Number
DB03286
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 250.2093
Monoisotopic: 250.0913342
Chemical Formula
C7H14N4O6
Synonyms
Not Available

Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UGlycogen phosphorylase, muscle formNot AvailableHumans
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 c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
C-glycosyl compounds
Alternative Parents
Hexoses / Oxanes / Secondary alcohols / Hemiaminals / Azo imides / Azo compounds / Polyols / Oxacyclic compounds / Primary alcohols / Organopnictogen compounds
show 3 more
Substituents
Alcohol / Aliphatic heteromonocyclic compound / Alkanolamine / Azo compound / Azo imide / C-glycosyl compound / Hemiaminal / Hexose monosaccharide / Hydrocarbon derivative / Monosaccharide
show 11 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
Not Available
CAS number
Not Available
InChI Key
LAKOUYZWWLMCSL-JBFGQTLDSA-N
InChI
InChI=1S/C7H14N4O6/c8-6(16)7(10-11-9)5(15)4(14)3(13)2(1-12)17-7/h2-6,12-16H,1,8H2/t2-,3-,4+,5-,6?,7+/m1/s1
IUPAC Name
(2S,3R,4S,5S,6R)-2-[amino(hydroxy)methyl]-2-azido-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES
[H]C(N)(O)[C@]1(O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)N=[N+]=[N-]

References

General References
Not Available
PubChem Compound
131704237
PubChem Substance
46509005
ChemSpider
26326313
PDBe Ligand
CGF
PDB Entries
1p4g

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility54.6 mg/mLALOGPS
logP-1.4ALOGPS
logP-3Chemaxon
logS-0.66ALOGPS
pKa (Strongest Acidic)11.92Chemaxon
pKa (Strongest Basic)7.51Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count6Chemaxon
Polar Surface Area165.83 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity51.3 m3·mol-1Chemaxon
Polarizability21.73 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption-0.9897
Blood Brain Barrier-0.7732
Caco-2 permeable-0.668
P-glycoprotein substrateNon-substrate0.6389
P-glycoprotein inhibitor INon-inhibitor0.9249
P-glycoprotein inhibitor IINon-inhibitor0.9918
Renal organic cation transporterNon-inhibitor0.9396
CYP450 2C9 substrateNon-substrate0.785
CYP450 2D6 substrateNon-substrate0.8138
CYP450 3A4 substrateNon-substrate0.6275
CYP450 1A2 substrateNon-inhibitor0.8698
CYP450 2C9 inhibitorNon-inhibitor0.89
CYP450 2D6 inhibitorNon-inhibitor0.9297
CYP450 2C19 inhibitorNon-inhibitor0.852
CYP450 3A4 inhibitorNon-inhibitor0.9885
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9909
Ames testAMES toxic0.6761
CarcinogenicityNon-carcinogens0.9189
BiodegradationReady biodegradable0.6409
Rat acute toxicity2.2453 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9881
hERG inhibition (predictor II)Non-inhibitor0.9497
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Targets

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Details1. Glycogen phosphorylase, muscle form
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Pyridoxal phosphate binding
Specific Function
Phosphorylase is an important allosteric enzyme in carbohydrate metabolism. Enzymes from different sources differ in their regulatory mechanisms and in their natural substrates. However, all known ...
Gene Name
PYGM
Uniprot ID
P11217
Uniprot Name
Glycogen phosphorylase, muscle form
Molecular Weight
97091.265 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. 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]
  3. 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