7-methyl-5'-guanylic acid
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Identification
- Generic Name
- 7-methyl-5'-guanylic acid
- DrugBank Accession Number
- DB03593
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 378.2551
Monoisotopic: 378.081474057 - Chemical Formula
- C11H17N5O8P
- Synonyms
- 7-methylguanosine 5'-(dihydrogen phosphate)
- 7-methylguanosine 5'-phosphate
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.
- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism Um7GpppX diphosphatase 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.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 purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.
- Kingdom
- Organic compounds
- Super Class
- Nucleosides, nucleotides, and analogues
- Class
- Purine nucleotides
- Sub Class
- Purine ribonucleotides
- Direct Parent
- Purine ribonucleoside monophosphates
- Alternative Parents
- Pentose phosphates / Glycosylamines / 6-oxopurines / Hypoxanthines / Monosaccharide phosphates / Aminopyrimidines and derivatives / Pyrimidones / Monoalkyl phosphates / N-substituted imidazoles / Heteroaromatic compounds show 11 more
- Substituents
- 1,2-diol / 6-oxopurine / Alcohol / Alkyl phosphate / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Glycosyl compound show 32 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- purine ribonucleoside 5'-monophosphate (CHEBI:17825)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- M5SL28EU5R
- CAS number
- Not Available
- InChI Key
- AOKQNZVJJXPUQA-KQYNXXCUSA-O
- InChI
- InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1
- IUPAC Name
- 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium
- SMILES
- C[N+]1=CN([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0059612
- KEGG Compound
- C03998
- PubChem Compound
- 440190
- PubChem Substance
- 46504587
- ChemSpider
- 389178
- ChEBI
- 17825
- ChEMBL
- CHEMBL1232939
- ZINC
- ZINC000004096273
- PDBe Ligand
- G7M
- PDB Entries
- 1c0a / 1efw / 1n1h / 1qf6 / 1xmm / 4ybb / 4zer / 5br8 / 5e7k / 5e81 … show 210 more
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 1.8 mg/mL ALOGPS logP -2.4 ALOGPS logP -7.1 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 1.28 Chemaxon pKa (Strongest Basic) 0.27 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 192.74 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 80.69 m3·mol-1 Chemaxon Polarizability 33.28 Å3 Chemaxon Number of Rings 3 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 - 0.9212 Blood Brain Barrier + 0.7522 Caco-2 permeable - 0.7234 P-glycoprotein substrate Non-substrate 0.5499 P-glycoprotein inhibitor I Non-inhibitor 0.957 P-glycoprotein inhibitor II Non-inhibitor 0.9904 Renal organic cation transporter Non-inhibitor 0.9522 CYP450 2C9 substrate Non-substrate 0.824 CYP450 2D6 substrate Non-substrate 0.8329 CYP450 3A4 substrate Non-substrate 0.5065 CYP450 1A2 substrate Non-inhibitor 0.85 CYP450 2C9 inhibitor Non-inhibitor 0.9159 CYP450 2D6 inhibitor Non-inhibitor 0.8993 CYP450 2C19 inhibitor Non-inhibitor 0.9163 CYP450 3A4 inhibitor Non-inhibitor 0.9751 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9898 Ames test Non AMES toxic 0.828 Carcinogenicity Non-carcinogens 0.9105 Biodegradation Not ready biodegradable 0.8934 Rat acute toxicity 2.3484 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9649 hERG inhibition (predictor II) Non-inhibitor 0.8286
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

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1. Detailsm7GpppX diphosphatase
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Rna 7-methylguanosine cap binding
- Specific Function
- Decapping scavenger enzyme that catalyzes the cleavage of a residual cap structure following the degradation of mRNAs by the 3'->5' exosome-mediated mRNA decay pathway. Hydrolyzes cap analog struct...
- Gene Name
- DCPS
- Uniprot ID
- Q96C86
- Uniprot Name
- m7GpppX diphosphatase
- Molecular Weight
- 38608.45 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52