N(6)-(pyridoxal phosphate)-L-lysine
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Identification
- Generic Name
- N(6)-(pyridoxal phosphate)-L-lysine
- DrugBank Accession Number
- DB04083
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 375.3141
Monoisotopic: 375.119536585 - Chemical Formula
- C14H22N3O7P
- Synonyms
- (S)-2-amino-6-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-4-pyridine)methyleneamino]hexanoic acid
- N6-((3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methylene)-L-lysine
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UKynurenine--oxoglutarate transaminase 1 Not Available Humans UOrnithine decarboxylase Not Available Humans UAdenosylmethionine-8-amino-7-oxononanoate aminotransferase Not Available Escherichia coli (strain K12) UGlycogen phosphorylase, muscle form Not Available Humans UAlanine--glyoxylate aminotransferase Not Available Humans UAspartate aminotransferase Not Available Escherichia coli (strain K12) UAspartate aminotransferase Not Available Thermus thermophilus UL-allo-threonine aldolase Not Available Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) UMethionine gamma-lyase Not Available Pseudomonas putida UCystathionine gamma-synthase Not Available Escherichia coli (strain K12) UTyrosine aminotransferase Not Available Trypanosoma cruzi - 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- QM00M3504A
- CAS number
- 2440-59-7
- InChI Key
- YQSOQJORMNSDJL-QFULYMJESA-N
- InChI
- InChI=1S/C14H22N3O7P/c1-9-13(18)11(10(6-17-9)8-24-25(21,22)23)7-16-5-3-2-4-12(15)14(19)20/h6-7,12,18H,2-5,8,15H2,1H3,(H,19,20)(H2,21,22,23)/b16-7+/t12-/m0/s1
- IUPAC Name
- (2S)-2-amino-6-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]hexanoic acid
- SMILES
- CC1=NC=C(COP(O)(O)=O)C(\C=N\CCCC[C@H](N)C(O)=O)=C1O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1a8i / 1ajr / 1ajs / 1ax4 / 1bjn / 1bjo / 1bjw / 1bqa / 1bqd / 1bw0 … show 602 more
Clinical Trials
- Clinical Trials
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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 0.451 mg/mL ALOGPS logP -1.4 ALOGPS logP -5.2 Chemaxon logS -2.9 ALOGPS pKa (Strongest Acidic) 1.42 Chemaxon pKa (Strongest Basic) 9.95 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 175.56 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 89.59 m3·mol-1 Chemaxon Polarizability 36.2 Å3 Chemaxon Number of Rings 1 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 - 0.9617 Blood Brain Barrier - 0.9311 Caco-2 permeable - 0.6792 P-glycoprotein substrate Substrate 0.7811 P-glycoprotein inhibitor I Non-inhibitor 0.9045 P-glycoprotein inhibitor II Non-inhibitor 0.9673 Renal organic cation transporter Non-inhibitor 0.8582 CYP450 2C9 substrate Non-substrate 0.7628 CYP450 2D6 substrate Non-substrate 0.7743 CYP450 3A4 substrate Non-substrate 0.5978 CYP450 1A2 substrate Non-inhibitor 0.7533 CYP450 2C9 inhibitor Non-inhibitor 0.8473 CYP450 2D6 inhibitor Non-inhibitor 0.8694 CYP450 2C19 inhibitor Non-inhibitor 0.7747 CYP450 3A4 inhibitor Non-inhibitor 0.9126 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9779 Ames test Non AMES toxic 0.6515 Carcinogenicity Non-carcinogens 0.9163 Biodegradation Not ready biodegradable 0.6454 Rat acute toxicity 2.2829 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.5561 hERG inhibition (predictor II) Inhibitor 0.5198
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0029000000-d9dc3e035b2c42cac7a1 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00fr-7009000000-d61a6967bc06bf9d1612 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-4389000000-d4efe9b6171e4a2ea142 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-c7a81ad098d72eaad638 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-bdfbdab933ea0902fe27 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-3791000000-8668e43fade45d3262f6 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 186.78186 predictedDeepCCS 1.0 (2019) [M+H]+ 189.13988 predictedDeepCCS 1.0 (2019) [M+Na]+ 196.44814 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsKynurenine--oxoglutarate transaminase 1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Catalyzes the irreversible transamination of the L-tryptophan metabolite L-kynurenine to form kynurenic acid (KA), an intermediate in the tryptophan catabolic pathway which is also a broad spectrum antagonist of the three ionotropic excitatory amino acid receptors among others (PubMed:19338303, PubMed:28097769). Also metabolizes the cysteine conjugates of certain halogenated alkenes and alkanes to form reactive metabolites (PubMed:7883047). Catalyzes the beta-elimination of S-conjugates and Se-conjugates of L-(seleno)cysteine, resulting in the cleavage of the C-S or C-Se bond (PubMed:7883047).
- Specific Function
- cysteine-S-conjugate beta-lyase activity
- Gene Name
- KYAT1
- Uniprot ID
- Q16773
- Uniprot Name
- Kynurenine--oxoglutarate transaminase 1
- Molecular Weight
- 47874.765 Da
References
2. DetailsOrnithine decarboxylase
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Catalyzes the first and rate-limiting step of polyamine biosynthesis that converts ornithine into putrescine, which is the precursor for the polyamines, spermidine and spermine. Polyamines are essential for cell proliferation and are implicated in cellular processes, ranging from DNA replication to apoptosis.
- Specific Function
- ornithine decarboxylase activity
- Gene Name
- ODC1
- Uniprot ID
- P11926
- Uniprot Name
- Ornithine decarboxylase
- Molecular Weight
- 51147.73 Da
References
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Catalyzes the transfer of the alpha-amino group from S-adenosyl-L-methionine (SAM) to 7-keto-8-aminopelargonic acid (KAPA) to form 7,8-diaminopelargonic acid (DAPA) (PubMed:1092681, PubMed:1092682). It is the only animotransferase known to utilize SAM as an amino donor (PubMed:1092681, PubMed:1092682). Complements a bioU deletion in Synechocystis PCC 6803 (PubMed:32042199).
- Specific Function
- adenosylmethionine-8-amino-7-oxononanoate transaminase activity
- Gene Name
- bioA
- Uniprot ID
- P12995
- Uniprot Name
- Adenosylmethionine-8-amino-7-oxononanoate aminotransferase
- Molecular Weight
- 47335.21 Da
References
4. DetailsGlycogen phosphorylase, muscle form
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Allosteric enzyme that catalyzes the rate-limiting step in glycogen catabolism, the phosphorolytic cleavage of glycogen to produce glucose-1-phosphate, and plays a central role in maintaining cellular and organismal glucose homeostasis.
- Specific Function
- glycogen phosphorylase activity
- 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]
5. DetailsAlanine--glyoxylate aminotransferase
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Peroxisomal aminotransferase that catalyzes the transamination of glyoxylate to glycine and contributes to the glyoxylate detoxification (PubMed:10960483, PubMed:12777626, PubMed:23229545, PubMed:24055001, PubMed:26149463). Also catalyzes the transamination between L-serine and pyruvate and contributes to gluconeogenesis from the L-serine metabolism (PubMed:10347152).
- Specific Function
- alanine-glyoxylate transaminase activity
- Gene Name
- AGXT
- Uniprot ID
- P21549
- Uniprot Name
- Alanine--glyoxylate aminotransferase
- Molecular Weight
- 43009.535 Da
References
6. DetailsAspartate aminotransferase
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- identical protein binding
- Gene Name
- aspC
- Uniprot ID
- P00509
- Uniprot Name
- Aspartate aminotransferase
- Molecular Weight
- 43572.965 Da
References
7. DetailsAspartate aminotransferase
- Kind
- Protein
- Organism
- Thermus thermophilus
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- L-aspartate
- Gene Name
- Not Available
- Uniprot ID
- P83786
- Uniprot Name
- Aspartate aminotransferase
- Molecular Weight
- Not Available
8. DetailsL-allo-threonine aldolase
- Kind
- Protein
- Organism
- Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- L-allo-threonine aldolase activity
- Gene Name
- Not Available
- Uniprot ID
- Q9X266
- Uniprot Name
- L-allo-threonine aldolase
- Molecular Weight
- 37573.79 Da
9. DetailsMethionine gamma-lyase
- Kind
- Protein
- Organism
- Pseudomonas putida
- Pharmacological action
- Unknown
- General Function
- Catalyzes the alpha,gamma-elimination of L-methionine to produce methanethiol, 2-oxobutanoate and ammonia (PubMed:6742420, PubMed:8586629). Is involved in L-methionine catabolism (PubMed:9190812). In fact, shows a multicatalytic function since it also catalyzes gamma-replacement of L-methionine with thiol compounds, alpha,gamma-elimination and gamma-replacement reactions of L-homocysteine and its S-substituted derivatives, O-substituted-L-homoserines and DL-selenomethionine, and, to a lesser extent, alpha,beta-elimination and beta-replacement reactions of L-cysteine, S-methyl-L-cysteine, and O-acetyl-L-serine (PubMed:22785484, PubMed:6742420). Also catalyzes deamination and gamma-addition reactions of L-vinylglycine (PubMed:6742420). Thus, the enzyme is able to cleave C-S, C-Se, and C-O bonds of sulfur, selenium, and oxygen amino acids, respectively (PubMed:22785484, PubMed:6742420).
- Specific Function
- homocysteine desulfhydrase activity
- Gene Name
- mdeA
- Uniprot ID
- P13254
- Uniprot Name
- Methionine gamma-lyase
- Molecular Weight
- 42626.335 Da
10. DetailsCystathionine gamma-synthase
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Catalyzes the formation of L-cystathionine from O-succinyl-L-homoserine (OSHS) and L-cysteine, via a gamma-replacement reaction. In the absence of thiol, catalyzes gamma-elimination to form 2-oxobutanoate, succinate and ammonia.
- Specific Function
- cystathionine gamma-lyase activity
- Gene Name
- metB
- Uniprot ID
- P00935
- Uniprot Name
- Cystathionine gamma-synthase
- Molecular Weight
- 41549.995 Da
11. DetailsTyrosine aminotransferase
- Kind
- Protein
- Organism
- Trypanosoma cruzi
- Pharmacological action
- Unknown
- General Function
- Transaminase involved in tyrosine breakdown. Converts tyrosine to p-hydroxyphenylpyruvate (By similarity).
- Specific Function
- L-tyrosine
- Gene Name
- Not Available
- Uniprot ID
- P33447
- Uniprot Name
- Tyrosine aminotransferase
- Molecular Weight
- 46166.605 Da
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52