L-2-Amino-6-Methylene-Pimelic Acid
Identification
- Name
- L-2-Amino-6-Methylene-Pimelic Acid
- Accession Number
- DB02892
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for L-2-Amino-6-Methylene-Pimelic Acid (DB02892)
- Weight
- Average: 187.1931
Monoisotopic: 187.084457909 - Chemical Formula
- C8H13NO4
- Synonyms
- Not Available
Pharmacology
- Indication
- Not Available
- Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UMeso-diaminopimelate D-dehydrogenase Not Available Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / JCM 1318 / LMG 3730 / NCIMB 10025) - 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
Learn about our commercial Adverse Effects data.
Learn More- Toxicity
- Not Available
- Affected organisms
- 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 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 / Branched fatty acids / Amino fatty acids / Unsaturated fatty acids / Dicarboxylic acids and derivatives / Amino acids / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines show 2 more
- Substituents
- Aliphatic acyclic compound / Amine / Amino acid / Amino fatty acid / Branched fatty acid / Carbonyl group / Carboxylic acid / Dicarboxylic acid or derivatives / Fatty acid / Fatty acyl show 12 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- SGAIRWMSXVAPOO-LURJTMIESA-N
- InChI
- InChI=1S/C8H13NO4/c1-5(7(10)11)3-2-4-6(9)8(12)13/h6H,1-4,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
- IUPAC Name
- (2S)-2-amino-6-methylideneheptanedioic acid
- SMILES
- N[C@@H](CCCC(=C)C(O)=O)C(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 445478
- PubChem Substance
- 46508095
- ChemSpider
- 393109
- ZINC
- ZINC000002046788
- PDBe Ligand
- 2NP
- PDB Entries
- 1f06
Clinical Trials
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 22.0 mg/mL ALOGPS logP -2.9 ALOGPS logP -1.9 ChemAxon logS -0.93 ALOGPS pKa (Strongest Acidic) 2.16 ChemAxon pKa (Strongest Basic) 9.53 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 5 ChemAxon Hydrogen Donor Count 3 ChemAxon Polar Surface Area 100.62 Å2 ChemAxon Rotatable Bond Count 6 ChemAxon Refractivity 44.87 m3·mol-1 ChemAxon Polarizability 18.62 Å3 ChemAxon Number of Rings 0 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
Property Value Probability Human Intestinal Absorption - 0.6658 Blood Brain Barrier - 0.5375 Caco-2 permeable - 0.7424 P-glycoprotein substrate Non-substrate 0.5854 P-glycoprotein inhibitor I Non-inhibitor 0.9571 P-glycoprotein inhibitor II Non-inhibitor 0.9783 Renal organic cation transporter Non-inhibitor 0.9261 CYP450 2C9 substrate Non-substrate 0.8878 CYP450 2D6 substrate Non-substrate 0.8468 CYP450 3A4 substrate Non-substrate 0.6995 CYP450 1A2 substrate Non-inhibitor 0.8653 CYP450 2C9 inhibitor Non-inhibitor 0.8969 CYP450 2D6 inhibitor Non-inhibitor 0.9191 CYP450 2C19 inhibitor Non-inhibitor 0.9213 CYP450 3A4 inhibitor Non-inhibitor 0.8951 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9873 Ames test Non AMES toxic 0.7844 Carcinogenicity Non-carcinogens 0.8976 Biodegradation Ready biodegradable 0.9339 Rat acute toxicity 1.7492 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9584 hERG inhibition (predictor II) Non-inhibitor 0.9793
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
- Kind
- Protein
- Organism
- Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / JCM 1318 / LMG 3730 / NCIMB 10025)
- Pharmacological action
- Unknown
- General Function
- Diaminopimelate dehydrogenase activity
- Specific Function
- Catalyzes the reversible NADPH-dependent reductive amination of L-2-amino-6-oxopimelate, the acyclic form of L-tetrahydrodipicolinate, to generate the meso compound, D,L-2,6-diaminopimelate. Probab...
- Gene Name
- ddh
- Uniprot ID
- P04964
- Uniprot Name
- Meso-diaminopimelate D-dehydrogenase
- Molecular Weight
- 35199.135 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. [PubMed:17139284]
- 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. [PubMed:17016423]
Drug created on June 13, 2005 07:24 / Updated on June 12, 2020 10:52