Identification
- Generic Name
- 7-methyl-guanosine-5'-triphosphate
- DrugBank Accession Number
- DB02716
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for 7-methyl-guanosine-5'-triphosphate (DB02716)
- Weight
- Average: 538.2149
Monoisotopic: 538.014134877 - Chemical Formula
- C11H19N5O14P3
- Synonyms
- 7-methyl-GTP(1+)
- 7-methylguanosine 5'-(tetrahydrogen triphosphate)
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 UEukaryotic translation initiation factor 4E 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
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety.
- Kingdom
- Organic compounds
- Super Class
- Nucleosides, nucleotides, and analogues
- Class
- Purine nucleotides
- Sub Class
- Purine ribonucleotides
- Direct Parent
- Purine ribonucleoside triphosphates
- Alternative Parents
- Purine ribonucleoside monophosphates / Pentose phosphates / Glycosylamines / Hypoxanthines / Monosaccharide phosphates / 6-oxopurines / Aminopyrimidines and derivatives / Monoalkyl phosphates / Pyrimidones / N-substituted imidazoles show 12 more
- Substituents
- 1,2-diol / 6-oxopurine / Alcohol / Alkyl phosphate / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Glycosyl compound show 33 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- guanosine 5'-phosphate (CHEBI:50226)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- DKVRNHPCAOHRSI-KQYNXXCUSA-O
- InChI
- InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p+1/t4-,6-,7-,10-/m1/s1
- IUPAC Name
- 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-({[hydroxy({[hydroxy(phosphonooxy)phosphoryl]oxy})phosphoryl]oxy}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)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2
References
- General References
- Not Available
- External Links
- PubChem Compound
- 444378
- PubChem Substance
- 46507684
- ChemSpider
- 392325
- ChEBI
- 50226
- ChEMBL
- CHEMBL1234303
- ZINC
- ZINC000015601432
- PDBe Ligand
- MGP
- PDB Entries
- 1ipc / 1l8b / 2wmc / 3am7 / 3ctr / 3gdh / 3qji / 4emr / 4tpw / 5abx … show 21 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 8.02 mg/mL ALOGPS logP -0.93 ALOGPS logP -8.1 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 1 Chemaxon pKa (Strongest Basic) 0.22 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 13 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 285.8 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 102.43 m3·mol-1 Chemaxon Polarizability 42.43 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.9598 Blood Brain Barrier + 0.6528 Caco-2 permeable - 0.7204 P-glycoprotein substrate Non-substrate 0.5368 P-glycoprotein inhibitor I Non-inhibitor 0.9526 P-glycoprotein inhibitor II Non-inhibitor 0.9884 Renal organic cation transporter Non-inhibitor 0.9566 CYP450 2C9 substrate Non-substrate 0.8058 CYP450 2D6 substrate Non-substrate 0.8323 CYP450 3A4 substrate Non-substrate 0.5074 CYP450 1A2 substrate Non-inhibitor 0.8249 CYP450 2C9 inhibitor Non-inhibitor 0.9133 CYP450 2D6 inhibitor Non-inhibitor 0.8873 CYP450 2C19 inhibitor Non-inhibitor 0.9155 CYP450 3A4 inhibitor Non-inhibitor 0.9754 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9878 Ames test Non AMES toxic 0.8396 Carcinogenicity Non-carcinogens 0.9129 Biodegradation Not ready biodegradable 0.8687 Rat acute toxicity 2.4976 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.966 hERG inhibition (predictor II) Non-inhibitor 0.7769
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key 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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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Translation initiation factor activity
- Specific Function
- Recognizes and binds the 7-methylguanosine-containing mRNA cap during an early step in the initiation of protein synthesis and facilitates ribosome binding by inducing the unwinding of the mRNAs se...
- Gene Name
- EIF4E
- Uniprot ID
- P06730
- Uniprot Name
- Eukaryotic translation initiation factor 4E
- Molecular Weight
- 25097.07 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]
Drug created at June 13, 2005 13:24 / Updated at August 01, 2020 13:45