Nojirimycine Tetrazole

Identification

Generic Name: Nojirimycine Tetrazole
DrugBank Accession Number: DB02471
Background: Not Available
Type: Small Molecule
Groups: Experimental
Structure: 3D
MOL SDF 3D-SDF PDB SMILES InChI

Similar Structures
Structure for Nojirimycine Tetrazole (DB02471)
Synonyms: Not Available

Pharmacology

Indication

Not Available

Reduce drug development failure rates

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Contraindications & Blackbox Warnings

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Pharmacodynamics

Not Available

Mechanism of action

Target	Actions	Organism
UGlycogen phosphorylase, muscle form	Not Available	Humans
ULactase-like protein	Not Available	Humans
ULactase-phlorizin hydrolase	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 tetrazoles. These are organic compounds containing a tetrazole ring, which is a five-member aromatic heterocycle made up of four nitrogen atoms and a one carbon atom.
Kingdom: Organic compounds
Super Class: Organoheterocyclic compounds
Class: Azoles
Sub Class: Tetrazoles
Direct Parent: Tetrazoles
Alternative Parents: Heteroaromatic compounds / Secondary alcohols / Polyols / Azacyclic compounds / Primary alcohols / Organopnictogen compounds / Organonitrogen compounds / Hydrocarbon derivatives
Substituents: Alcohol / Aromatic heteropolycyclic compound / Azacycle / Heteroaromatic compound / Hydrocarbon derivative / Organic nitrogen compound / Organic oxygen compound / Organonitrogen compound / Organooxygen compound / Organopnictogen compound
Molecular Framework: Aromatic heteropolycyclic compounds
External Descriptors: Not Available

Affected organisms

Not Available

Chemical Identifiers

UNII: Not Available
CAS number: Not Available
InChI Key: UCJXQRFJERKPOZ-SQOUGZDYSA-N
InChI: InChI=1S/C6H10N4O4/c11-1-2-3(12)4(13)5(14)6-7-8-9-10(2)6/h2-5,11-14H,1H2/t2-,3-,4+,5-/m1/s1
IUPAC Name: (5R,6R,7S,8S)-5-(hydroxymethyl)-5H,6H,7H,8H-[1,2,3,4]tetrazolo[1,5-a]pyridine-6,7,8-triol
SMILES: [H][C@]1(O)C2=NN=NN2[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O

References

General References

Not Available

External Links

PubChem Compound: 445245
PubChem Substance: 46506623
ChemSpider: 392938
ZINC: ZINC000017193216
PDBe Ligand: NTZ

PDB Entries

1e6q / 1noi / 1noj / 1nok / 1v08 / 2j7b

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	47.8 mg/mL	ALOGPS
logP	-2.1	ALOGPS
logP	-3.2	Chemaxon
logS	-0.63	ALOGPS
pKa (Strongest Acidic)	12.02	Chemaxon
pKa (Strongest Basic)	-1.9	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	7	Chemaxon
Hydrogen Donor Count	4	Chemaxon
Polar Surface Area	124.52 Å²	Chemaxon
Rotatable Bond Count	1	Chemaxon
Refractivity	55.34 m³·mol^-1	Chemaxon
Polarizability	17.5 Å³	Chemaxon
Number of Rings	2	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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insights and accelerate drug research.

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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

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]
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]

Details2. Lactase-like protein

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Hydrolase activity, hydrolyzing o-glycosyl compounds
Specific Function: Not Available
Gene Name: LCTL
Uniprot ID: Q6UWM7
Uniprot Name: Lactase-like protein
Molecular Weight: 65087.84 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]
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]

Details3. Lactase-phlorizin hydrolase

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Transferase activity
Specific Function: LPH splits lactose in the small intestine.
Gene Name: LCT
Uniprot ID: P09848
Uniprot Name: Lactase-phlorizin hydrolase
Molecular Weight: 218584.77 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 July 02, 2020 13:17