7-methyl-guanosine-5'-triphosphate-5'-guanosine
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Identification
- Generic Name
- 7-methyl-guanosine-5'-triphosphate-5'-guanosine
- DrugBank Accession Number
- DB03958
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 803.4404
Monoisotopic: 803.095238742 - Chemical Formula
- C21H30N10O18P3
- Synonyms
- mRNA cap analog N7-Methyl GpppG
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 URNA-directed RNA polymerase lambda-3 Not Available T3D - 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- FHHZHGZBHYYWTG-INFSMZHSSA-O
- InChI
- InChI=1S/C21H29N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p+1/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
- IUPAC Name
- 2-amino-9-[(2R,3R,4S,5R)-5-({[({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-7-methyl-6-oxo-6,7-dihydro-3H-9lambda5-purin-9-ylium
- SMILES
- [H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[N+]2=CN(C)C3=C2N([H])C(=NC3=O)N([H])[H])[C@@H](O)[C@H]1O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 121959
- PubChem Substance
- 46504811
- ChemSpider
- 108799
- ZINC
- ZINC000085547903
- PDBe Ligand
- GTG
- PDB Entries
- 1mwh / 1n52 / 1ri1 / 1ri2 / 1st0 / 2p40 / 3emb / 3hxi / 3qx8 / 4j7n … show 16 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 4.8 mg/mL ALOGPS logP -0.06 ALOGPS logP -10 Chemaxon logS -2.2 ALOGPS pKa (Strongest Acidic) 0.89 Chemaxon pKa (Strongest Basic) 2.24 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 21 Chemaxon Hydrogen Donor Count 11 Chemaxon Polar Surface Area 409.79 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 162.41 m3·mol-1 Chemaxon Polarizability 67.4 Å3 Chemaxon Number of Rings 6 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 - 0.9673 Blood Brain Barrier + 0.5487 Caco-2 permeable - 0.7055 P-glycoprotein substrate Substrate 0.574 P-glycoprotein inhibitor I Non-inhibitor 0.9279 P-glycoprotein inhibitor II Non-inhibitor 0.9825 Renal organic cation transporter Non-inhibitor 0.9288 CYP450 2C9 substrate Non-substrate 0.7758 CYP450 2D6 substrate Non-substrate 0.8301 CYP450 3A4 substrate Substrate 0.5292 CYP450 1A2 substrate Non-inhibitor 0.7718 CYP450 2C9 inhibitor Non-inhibitor 0.8841 CYP450 2D6 inhibitor Non-inhibitor 0.8684 CYP450 2C19 inhibitor Non-inhibitor 0.8738 CYP450 3A4 inhibitor Non-inhibitor 0.8975 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.955 Ames test Non AMES toxic 0.8204 Carcinogenicity Non-carcinogens 0.9027 Biodegradation Not ready biodegradable 0.9682 Rat acute toxicity 2.7349 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.956 hERG inhibition (predictor II) Non-inhibitor 0.5494
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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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
2. DetailsRNA-directed RNA polymerase lambda-3
- Kind
- Protein
- Organism
- T3D
- Pharmacological action
- Unknown
- General Function
- Rna-directed rna polymerase activity
- Specific Function
- RNA-directed RNA polymerase that is involved in transcription and genome replication. Following infection, it catalyzes the synthesis of fully conservative plus strands. After core assembly, which ...
- Gene Name
- L1
- Uniprot ID
- P0CK31
- Uniprot Name
- RNA-directed RNA polymerase lambda-3
- Molecular Weight
- 142268.83 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52