NAV

L-2-aminopimelic acid

Identification

Generic Name
L-2-aminopimelic acid
DrugBank Accession Number
DB03134
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 175.1824
Monoisotopic: 175.084457909
Chemical Formula
C7H13NO4
Synonyms
  • (2S)-2-Aminoheptanedioic acid
  • (S)-2-aminoheptanedioic acid
  • 2-Aminopimelic acid
  • L-alpha-Aminopimelic acid
  • L-α-aminopimelic acid

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
U2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferaseNot AvailableUnknown prokaryotic organism
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 fatty acids / Amino fatty acids / Dicarboxylic acids and derivatives / Amino acids / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aliphatic acyclic compound / Amine / Amino acid / Amino fatty acid / Carbonyl group / Carboxylic acid / Dicarboxylic acid or derivatives / Fatty acid / Fatty acyl / Hydrocarbon derivative
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
non-proteinogenic L-alpha-amino acid, 2-aminopimelic acid (CHEBI:44387)
Affected organisms
Not Available

Chemical Identifiers

UNII
0603E10Z5S
CAS number
26630-55-7
InChI Key
JUQLUIFNNFIIKC-YFKPBYRVSA-N
InChI
InChI=1S/C7H13NO4/c8-5(7(11)12)3-1-2-4-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)/t5-/m0/s1
IUPAC Name
(2S)-2-aminoheptanedioic acid
SMILES
N[C@@H](CCCCC(O)=O)C(O)=O

References

General References
Not Available
PubChem Compound
446719
PubChem Substance
46509145
ChemSpider
394004
ChEBI
44387
ZINC
ZINC000001594926
PDBe Ligand
NPI
PDB Entries
1kgq / 2tdt / 3r5b / 5e3r

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 Solubility12.6 mg/mLALOGPS
logP-3.2ALOGPS
logP-2.4Chemaxon
logS-1.1ALOGPS
pKa (Strongest Acidic)2.13Chemaxon
pKa (Strongest Basic)9.53Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area100.62 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity40.49 m3·mol-1Chemaxon
Polarizability17.63 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption-0.5985
Blood Brain Barrier+0.635
Caco-2 permeable-0.8545
P-glycoprotein substrateNon-substrate0.6478
P-glycoprotein inhibitor INon-inhibitor0.9819
P-glycoprotein inhibitor IINon-inhibitor0.9878
Renal organic cation transporterNon-inhibitor0.9451
CYP450 2C9 substrateNon-substrate0.8547
CYP450 2D6 substrateNon-substrate0.8561
CYP450 3A4 substrateNon-substrate0.7578
CYP450 1A2 substrateNon-inhibitor0.8491
CYP450 2C9 inhibitorNon-inhibitor0.9678
CYP450 2D6 inhibitorNon-inhibitor0.9578
CYP450 2C19 inhibitorNon-inhibitor0.9708
CYP450 3A4 inhibitorNon-inhibitor0.92
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9956
Ames testNon AMES toxic0.8971
CarcinogenicityNon-carcinogens0.9256
BiodegradationReady biodegradable0.8672
Rat acute toxicity0.9984 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9681
hERG inhibition (predictor II)Non-inhibitor0.9708
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. 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
Kind
Protein
Organism
Unknown prokaryotic organism
Pharmacological action
Unknown
General Function
2,3,4,5-tetrahydropyridine-2,6-dicarboxylate n-succinyltransferase activity
Specific Function
Not Available
Gene Name
dapD
Uniprot ID
P56220
Uniprot Name
2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
Molecular Weight
29886.885 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