Guanosine-2'-monophosphate

Identification

Name
Guanosine-2'-monophosphate
Accession Number
DB01937  (EXPT00121)
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • 2'-GMP
  • 2'-guanylic acid
  • 2'-O-phosphoguanosine
  • Guanosine 2'-phosphate
Categories
UNII
Not Available
CAS number
130-50-7
Weight
Average: 363.2206
Monoisotopic: 363.057998961
Chemical Formula
C10H14N5O8P
InChI Key
WTIFIAZWCCBCGE-UUOKFMHZSA-N
InChI
InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23-24(19,20)21)5(17)3(1-16)22-9/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,3R,4R,5R)-2-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid
SMILES
NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(O)(O)=O)C(=O)N1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UGuanyl-specific ribonuclease SaNot AvailableStreptomyces aureofaciens
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
Toxicity
Not Available
Affected organisms
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

References

General References
Not Available
External Links
PubChem Compound
444571
PubChem Substance
46506277
ChemSpider
392466
ChEBI
74948
ZINC
ZINC000005224737
PDBe Ligand
2GP
PDB Entries
1bir / 1bu4 / 1bvi / 1ch0 / 1det / 1fut / 1fys / 1fzu / 1g02 / 1gmp
show 31 more

Clinical Trials

Clinical Trials
Not Available

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
PropertyValueSource
Water Solubility3.56 mg/mLALOGPS
logP-2ALOGPS
logP-3.3ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)0.92ChemAxon
pKa (Strongest Basic)0.29ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area201.75 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity75.49 m3·mol-1ChemAxon
Polarizability30.56 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.7793
Blood Brain Barrier+0.9254
Caco-2 permeable-0.7573
P-glycoprotein substrateNon-substrate0.7127
P-glycoprotein inhibitor INon-inhibitor0.9212
P-glycoprotein inhibitor IINon-inhibitor0.9531
Renal organic cation transporterNon-inhibitor0.9513
CYP450 2C9 substrateNon-substrate0.8554
CYP450 2D6 substrateNon-substrate0.8364
CYP450 3A4 substrateNon-substrate0.5871
CYP450 1A2 substrateNon-inhibitor0.8551
CYP450 2C9 inhibitorNon-inhibitor0.9033
CYP450 2D6 inhibitorNon-inhibitor0.8929
CYP450 2C19 inhibitorNon-inhibitor0.9188
CYP450 3A4 inhibitorNon-inhibitor0.9492
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9777
Ames testNon AMES toxic0.8429
CarcinogenicityNon-carcinogens0.8624
BiodegradationNot ready biodegradable0.9528
Rat acute toxicity2.5271 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9713
hERG inhibition (predictor II)Non-inhibitor0.8597
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
Pentose phosphates
Alternative Parents
Glycosylamines / 6-oxopurines / Hypoxanthines / Pyrimidones / Aminopyrimidines and derivatives / Monoalkyl phosphates / N-substituted imidazoles / Vinylogous amides / Tetrahydrofurans / Heteroaromatic compounds
show 8 more
Substituents
6-oxopurine / Alcohol / Alkyl phosphate / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Glycosyl compound / Heteroaromatic compound
show 24 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
purine ribonucleoside 2'-monophosphate (CHEBI:74948)

Targets

Kind
Protein
Organism
Streptomyces aureofaciens
Pharmacological action
Unknown
General Function
Rna binding
Specific Function
Not Available
Gene Name
rnaSA
Uniprot ID
P05798
Uniprot Name
Guanyl-specific ribonuclease Sa
Molecular Weight
10575.465 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. 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. [PubMed:17016423]

Drug created on June 13, 2005 07:24 / Updated on June 12, 2020 10:52

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