7-Deazaguanine

Identification

Name
7-Deazaguanine
Accession Number
DB02245
Description
Not Available
Type
Small Molecule
Groups
Experimental
Structure
Thumb
Weight
Average: 150.138
Monoisotopic: 150.054160834
Chemical Formula
C6H6N4O
Synonyms
Not Available

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More
Pharmacodynamics
Not Available
Mechanism of action
Not Available
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
Learn about our commercial Adverse Effects data.
Learn More
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.
DrugInteraction
AbirateroneThe serum concentration of 7-Deazaguanine can be increased when it is combined with Abiraterone.
AcebutololThe risk or severity of adverse effects can be increased when Acebutolol is combined with 7-Deazaguanine.
AcetazolamideAcetazolamide may increase the excretion rate of 7-Deazaguanine which could result in a lower serum level and potentially a reduction in efficacy.
AdalimumabThe serum concentration of 7-Deazaguanine can be decreased when it is combined with Adalimumab.
AdenosineThe therapeutic efficacy of Adenosine can be decreased when used in combination with 7-Deazaguanine.
AllopurinolThe serum concentration of 7-Deazaguanine can be increased when it is combined with Allopurinol.
AlprazolamThe therapeutic efficacy of Alprazolam can be decreased when used in combination with 7-Deazaguanine.
AmobarbitalThe serum concentration of 7-Deazaguanine can be decreased when it is combined with Amobarbital.
AmphetamineThe risk or severity of adverse effects can be increased when Amphetamine is combined with 7-Deazaguanine.
AtenololThe risk or severity of adverse effects can be increased when Atenolol is combined with 7-Deazaguanine.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

    Learn more
  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

    Learn more
  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

    Learn more
Food Interactions
Not Available

Products

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Sub Class
Not Available
Direct Parent
Pyrrolopyrimidines
Alternative Parents
Pyrimidones / Aminopyrimidines and derivatives / Pyrroles / Heteroaromatic compounds / Lactams / Propargyl-type 1,3-dipolar organic compounds / Azacyclic compounds / Primary amines / Organopnictogen compounds / Organooxygen compounds
show 3 more
Substituents
Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Heteroaromatic compound / Hydrocarbon derivative / Imine / Lactam / Organic 1,3-dipolar compound / Organic nitrogen compound
show 11 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
pyrrolopyrimidine (CHEBI:40308)

Chemical Identifiers

UNII
GPL8T5ZO3M
CAS number
7355-55-7
InChI Key
LOSIULRWFAEMFL-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h2H,1H2,(H3,7,9,10,11)
IUPAC Name
2-amino-3H,4H,5H-pyrrolo[2,3-d]pyrimidin-4-one
SMILES
NC1=NC2=C(CC=N2)C(=O)N1

References

General References
Not Available
PubChem Compound
4470573
PubChem Substance
46508935
ChemSpider
3668976
ChEMBL
CHEMBL219544
ZINC
ZINC000018187616
PDBe Ligand
7DG
PDB Entries
1il3 / 3iny / 4lvw

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility2.76 mg/mLALOGPS
logP-1.2ALOGPS
logP-1.1ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)9.21ChemAxon
pKa (Strongest Basic)3.44ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area79.84 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity47.82 m3·mol-1ChemAxon
Polarizability13.91 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9964
Blood Brain Barrier+0.983
Caco-2 permeable-0.6161
P-glycoprotein substrateNon-substrate0.7027
P-glycoprotein inhibitor INon-inhibitor0.9466
P-glycoprotein inhibitor IINon-inhibitor0.9689
Renal organic cation transporterNon-inhibitor0.6539
CYP450 2C9 substrateNon-substrate0.8281
CYP450 2D6 substrateNon-substrate0.7864
CYP450 3A4 substrateNon-substrate0.6018
CYP450 1A2 substrateNon-inhibitor0.5452
CYP450 2C9 inhibitorNon-inhibitor0.9613
CYP450 2D6 inhibitorNon-inhibitor0.9154
CYP450 2C19 inhibitorNon-inhibitor0.8879
CYP450 3A4 inhibitorNon-inhibitor0.8867
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9797
Ames testNon AMES toxic0.6003
CarcinogenicityNon-carcinogens0.9574
BiodegradationNot ready biodegradable0.9523
Rat acute toxicity2.5719 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9824
hERG inhibition (predictor II)Non-inhibitor0.9463
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

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

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Logo pink
Stay in the know!
As part of our commitment to providing the most up-to-date drug information, we will be releasing #DrugBankUpdates with our newly added curated drug pages.
#DrugBankUpdates