Guanosine 3'-monophosphate
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Identification
- Generic Name
- Guanosine 3'-monophosphate
- DrugBank Accession Number
- DB03315
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 363.2206
Monoisotopic: 363.057998961 - Chemical Formula
- C10H14N5O8P
- Synonyms
- 3'-GMP
- 3'-Guanylic acid
- Guanosine 3'-phosphate
- Guanosine-3'-monophosphate
- Guanylic acid
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism URibonuclease Not Available Bacillus pumilus UBifunctional protein PyrR Not Available Bacillus caldolyticus - 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 ribonucleoside 3'-phosphates. These are ribonucleosides that contain a phosphate group attached to the C-3 carbon of the ribose or deoxyribose moiety. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.
- Kingdom
- Organic compounds
- Super Class
- Nucleosides, nucleotides, and analogues
- Class
- Ribonucleoside 3'-phosphates
- Sub Class
- Not Available
- Direct Parent
- Ribonucleoside 3'-phosphates
- Alternative Parents
- Pentose phosphates / Glycosylamines / 6-oxopurines / Monosaccharide phosphates / Hypoxanthines / Pyrimidones / Aminopyrimidines and derivatives / Monoalkyl phosphates / N-substituted imidazoles / Vinylogous amides show 10 more
- Substituents
- 6-oxopurine / Alcohol / Alkyl phosphate / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Glycosyl compound / Heteroaromatic compound show 30 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- purine ribonucleoside 3'-monophosphate, guanosine 3'-phosphate (CHEBI:28072)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 839SG0O89X
- CAS number
- 117-68-0
- InChI Key
- ZDPUTNZENXVHJC-UUOKFMHZSA-N
- InChI
- InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
- IUPAC Name
- {[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid
- SMILES
- NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)C(=O)N1
References
- General References
- Not Available
- External Links
- PDB Entries
- 1goy / 1lov / 1low / 1loy / 1rga / 1rgc / 1rls / 1rms / 1xz8 / 2gsp … show 12 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 3.51 mg/mL ALOGPS logP -2 ALOGPS logP -3.2 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) 1.03 Chemaxon pKa (Strongest Basic) 0.35 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 201.75 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 75.49 m3·mol-1 Chemaxon Polarizability 30.78 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 No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.7135 Blood Brain Barrier + 0.9503 Caco-2 permeable - 0.7605 P-glycoprotein substrate Non-substrate 0.7027 P-glycoprotein inhibitor I Non-inhibitor 0.9175 P-glycoprotein inhibitor II Non-inhibitor 0.9057 Renal organic cation transporter Non-inhibitor 0.9376 CYP450 2C9 substrate Non-substrate 0.8321 CYP450 2D6 substrate Non-substrate 0.841 CYP450 3A4 substrate Non-substrate 0.5734 CYP450 1A2 substrate Non-inhibitor 0.8722 CYP450 2C9 inhibitor Non-inhibitor 0.9175 CYP450 2D6 inhibitor Non-inhibitor 0.9151 CYP450 2C19 inhibitor Non-inhibitor 0.925 CYP450 3A4 inhibitor Non-inhibitor 0.9396 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9778 Ames test Non AMES toxic 0.7947 Carcinogenicity Non-carcinogens 0.8484 Biodegradation Not ready biodegradable 0.9637 Rat acute toxicity 2.3852 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9676 hERG inhibition (predictor II) Non-inhibitor 0.889
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0009000000-9b72baa0346e3f8d467e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0009000000-251df68db1ba47be68f3 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0921000000-bace9a133da87cd094ff Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-01zd-2019000000-e17f613496d16c59142b Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0udi-0900000000-18fc24f42ec77497e2a3 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0ufr-8916000000-d172397049af4ed1a316 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]- 191.8816759 predictedDarkChem Lite v0.1.0 [M-H]- 164.7151 predictedDeepCCS 1.0 (2019) [M+H]+ 191.6696759 predictedDarkChem Lite v0.1.0 [M+H]+ 167.11069 predictedDeepCCS 1.0 (2019) [M+Na]+ 191.7266759 predictedDarkChem Lite v0.1.0 [M+Na]+ 173.62436 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsRibonuclease
- Kind
- Protein
- Organism
- Bacillus pumilus
- Pharmacological action
- Unknown
- General Function
- Rna binding
- Specific Function
- This is a purine-specific ribonuclease.
- Gene Name
- Not Available
- Uniprot ID
- P48068
- Uniprot Name
- Ribonuclease
- Molecular Weight
- 17914.105 Da
References
2. DetailsBifunctional protein PyrR
- Kind
- Protein
- Organism
- Bacillus caldolyticus
- Pharmacological action
- Unknown
- General Function
- Uracil phosphoribosyltransferase activity
- Specific Function
- Regulates transcriptional attenuation of the pyrimidine nucleotide (pyr) operon by binding in a uridine-dependent manner to specific sites on pyr mRNA. This disrupts an antiterminator hairpin in th...
- Gene Name
- pyrR
- Uniprot ID
- P41007
- Uniprot Name
- Bifunctional protein PyrR
- Molecular Weight
- 19937.85 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52