NAV

6-hydroxynorleucine

Identification

Generic Name
6-hydroxynorleucine
DrugBank Accession Number
DB03412
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 147.1723
Monoisotopic: 147.089543287
Chemical Formula
C6H13NO3
Synonyms
  • 2-Amino-6-hydroxycaproic acid
  • 6-hydroxy-L-norleucine
  • alpha-Amino-epsilon-hydroxycaproic acid
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UL-asparaginaseNot AvailableErwinia chrysanthemi
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
L-alpha-amino acids
Alternative Parents
Medium-chain hydroxy acids and derivatives / Medium-chain fatty acids / Hydroxy fatty acids / Amino fatty acids / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Primary alcohols / Organopnictogen compounds / Organic oxides
show 3 more
Substituents
Alcohol / Aliphatic acyclic compound / Amine / Amino acid / Amino fatty acid / Carbonyl group / Carboxylic acid / Fatty acid / Fatty acyl / Hydrocarbon derivative
show 14 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
874D12O72W
CAS number
6033-32-5
InChI Key
OLUWXTFAPJJWPL-YFKPBYRVSA-N
InChI
InChI=1S/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1
IUPAC Name
(2S)-2-amino-6-hydroxyhexanoic acid
SMILES
N[C@@H](CCCCO)C(O)=O

References

General References
Not Available
PubChem Compound
97725
PubChem Substance
46508093
ChemSpider
88202
ChEMBL
CHEMBL1233976
ZINC
ZINC000001747033
PDBe Ligand
LDO
PDB Entries
1jsr / 6ir7 / 8aqa

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 Solubility101.0 mg/mLALOGPS
logP-2.9ALOGPS
logP-2.9Chemaxon
logS-0.16ALOGPS
pKa (Strongest Acidic)2.46Chemaxon
pKa (Strongest Basic)9.53Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area83.55 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity36.15 m3·mol-1Chemaxon
Polarizability15.55 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-00e9-9200000000-b56934be1540ae2e0975
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f89-7900000000-9dc145ae7d98bb391b80
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0900000000-4f160fb7ac585506b29b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01u1-3900000000-b01659e973f093884018
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-daebab5b7efad0b14ff0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000x-9000000000-82ca7aa1e02cd9f7c28f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-db23880a8c0e46fb682a
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-128.59166
predicted
DeepCCS 1.0 (2019)
[M+H]+132.41899
predicted
DeepCCS 1.0 (2019)
[M+Na]+141.23372
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. L-asparaginase
Kind
Protein
Organism
Erwinia chrysanthemi
Pharmacological action
Unknown
General Function
Asparaginase activity
Specific Function
Not Available
Gene Name
ansB
Uniprot ID
P06608
Uniprot Name
L-asparaginase
Molecular Weight
37574.855 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]

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