Glycinamide Ribonucleotide
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Identification
- Generic Name
- Glycinamide Ribonucleotide
- DrugBank Accession Number
- DB02236
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 286.1764
Monoisotopic: 286.056601978 - Chemical Formula
- C7H15N2O8P
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UPhosphoribosylglycinamide formyltransferase 2 Not Available Escherichia coli (strain K12) UPhosphoribosylglycinamide formyltransferase Not Available Escherichia coli (strain K12) UTrifunctional purine biosynthetic protein adenosine-3 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
- 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as glycinamide ribonucleotides. These are compounds in which the amide N atom of glycineamide is linked to the C-1 of a ribosyl (or deoxyribosyl) moiety. Nucleotides have a phosphate group linked to the C5 carbon of the ribose (or deoxyribose) moiety.
- Kingdom
- Organic compounds
- Super Class
- Nucleosides, nucleotides, and analogues
- Class
- Glycinamide ribonucleotides
- Sub Class
- Not Available
- Direct Parent
- Glycinamide ribonucleotides
- Alternative Parents
- Pentose phosphates / Alpha amino acid amides / Monosaccharide phosphates / Monoalkyl phosphates / Tetrahydrofurans / Secondary carboxylic acid amides / Secondary alcohols / 1,2-diols / Oxacyclic compounds / Organopnictogen compounds show 4 more
- Substituents
- 1,2-diol / Alcohol / Aliphatic heteromonocyclic compound / Alkyl phosphate / Alpha-amino acid amide / Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Carbonyl group / Carboxamide group show 24 more
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- N-glycosyl compound, ribose monophosphate (CHEBI:18349)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- OBQMLSFOUZUIOB-HJZCUYRDSA-N
- InChI
- InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7?/m1/s1
- IUPAC Name
- {[(2R,3S,4R)-5-(2-aminoacetamido)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
- SMILES
- NCC(=O)NC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
References
- General References
- Not Available
- External Links
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 14.6 mg/mL ALOGPS logP -2.4 ALOGPS logP -4.7 Chemaxon logS -1.3 ALOGPS pKa (Strongest Acidic) 1.23 Chemaxon pKa (Strongest Basic) 8.14 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 171.57 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 55.29 m3·mol-1 Chemaxon Polarizability 23.69 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.9929 Blood Brain Barrier - 0.6931 Caco-2 permeable - 0.7039 P-glycoprotein substrate Non-substrate 0.5237 P-glycoprotein inhibitor I Non-inhibitor 0.8635 P-glycoprotein inhibitor II Non-inhibitor 0.9352 Renal organic cation transporter Non-inhibitor 0.9493 CYP450 2C9 substrate Non-substrate 0.8512 CYP450 2D6 substrate Non-substrate 0.8121 CYP450 3A4 substrate Non-substrate 0.581 CYP450 1A2 substrate Non-inhibitor 0.8691 CYP450 2C9 inhibitor Non-inhibitor 0.8809 CYP450 2D6 inhibitor Non-inhibitor 0.9156 CYP450 2C19 inhibitor Non-inhibitor 0.8525 CYP450 3A4 inhibitor Non-inhibitor 0.9679 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.98 Ames test Non AMES toxic 0.5955 Carcinogenicity Non-carcinogens 0.8876 Biodegradation Ready biodegradable 0.7697 Rat acute toxicity 2.3510 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9719 hERG inhibition (predictor II) Non-inhibitor 0.8711
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-000t-9420000000-d7fee78dd4657e2eba28 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0890000000-9fc02412eeadd225e729 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-1900000000-dac3997191c4c0e6bda2 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004j-5090000000-fef600ed079031e43a49 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9010000000-e1a97ec9027c44542647 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0zfr-3900000000-8532ec68cc7e91b0f6ad Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-0d85a5d633d9c057c34d 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]- 151.87764 predictedDeepCCS 1.0 (2019) [M+H]+ 154.23564 predictedDeepCCS 1.0 (2019) [M+Na]+ 161.81038 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Phosphoribosylglycinamide formyltransferase activity
- Specific Function
- Catalyzes two reactions: the first one is the production of beta-formyl glycinamide ribonucleotide (GAR) from formate, ATP and beta GAR; the second, a side reaction, is the production of acetyl pho...
- Gene Name
- purT
- Uniprot ID
- P33221
- Uniprot Name
- Phosphoribosylglycinamide formyltransferase 2
- Molecular Weight
- 42433.335 Da
References
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Phosphoribosylglycinamide formyltransferase activity
- Specific Function
- Catalyzes the transfer of a formyl group from 10-formyltetrahydrofolate to 5-phospho-ribosyl-glycinamide (GAR), producing 5-phospho-ribosyl-N-formylglycinamide (FGAR) and tetrahydrofolate.
- Gene Name
- purN
- Uniprot ID
- P08179
- Uniprot Name
- Phosphoribosylglycinamide formyltransferase
- Molecular Weight
- 23238.065 Da
References
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Phosphoribosylglycinamide formyltransferase activity
- Specific Function
- Not Available
- Gene Name
- GART
- Uniprot ID
- P22102
- Uniprot Name
- Trifunctional purine biosynthetic protein adenosine-3
- Molecular Weight
- 107766.295 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52