9-Methylguanine
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Identification
- Generic Name
- 9-Methylguanine
- DrugBank Accession Number
- DB02489
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 165.1527
Monoisotopic: 165.065059871 - Chemical Formula
- C6H7N5O
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UDihydroneopterin aldolase Not Available Staphylococcus aureus - 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.
Drug Interaction Integrate drug-drug
interactions in your software1,2-Benzodiazepine The therapeutic efficacy of 1,2-Benzodiazepine can be decreased when used in combination with 9-Methylguanine. Abametapir The serum concentration of 9-Methylguanine can be increased when it is combined with Abametapir. Abatacept The metabolism of 9-Methylguanine can be increased when combined with Abatacept. Abiraterone The serum concentration of 9-Methylguanine can be increased when it is combined with Abiraterone. Acebutolol The risk or severity of adverse effects can be increased when Acebutolol is combined with 9-Methylguanine. Acenocoumarol The metabolism of 9-Methylguanine can be decreased when combined with Acenocoumarol. Acetaminophen The metabolism of 9-Methylguanine can be decreased when combined with Acetaminophen. Acetazolamide Acetazolamide may increase the excretion rate of 9-Methylguanine which could result in a lower serum level and potentially a reduction in efficacy. Acyclovir The metabolism of 9-Methylguanine can be decreased when combined with Acyclovir. Adalimumab The serum concentration of 9-Methylguanine can be decreased when it is combined with Adalimumab. Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Imidazopyrimidines
- Sub Class
- Purines and purine derivatives
- Direct Parent
- Hypoxanthines
- Alternative Parents
- 6-oxopurines / Pyrimidones / Aminopyrimidines and derivatives / N-substituted imidazoles / Vinylogous amides / Heteroaromatic compounds / Azacyclic compounds / Primary amines / Organopnictogen compounds / Organooxygen compounds show 2 more
- Substituents
- 6-oxopurine / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Hypoxanthine / Imidazole show 11 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 397W61ZHWY
- CAS number
- 5502-78-3
- InChI Key
- UUWJNBOCAPUTBK-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12)
- IUPAC Name
- 2-amino-9-methyl-6,9-dihydro-1H-purin-6-one
- SMILES
- CN1C=NC2=C1N=C(N)NC2=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 79639
- PubChem Substance
- 46504666
- ChemSpider
- 71942
- BindingDB
- 50143052
- ChEMBL
- CHEMBL1230674
- ZINC
- ZINC000000039178
- PDBe Ligand
- 9MG
- PDB Entries
- 1rrw / 4dwi / 4j7n / 4lc5 / 5far / 5u0w
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 5.82 mg/mL ALOGPS logP -0.94 ALOGPS logP -0.92 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 10.17 Chemaxon pKa (Strongest Basic) 0.63 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 85.3 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 42.92 m3·mol-1 Chemaxon Polarizability 15.48 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9901 Blood Brain Barrier + 0.9 Caco-2 permeable + 0.5 P-glycoprotein substrate Non-substrate 0.6792 P-glycoprotein inhibitor I Non-inhibitor 0.9622 P-glycoprotein inhibitor II Non-inhibitor 0.9058 Renal organic cation transporter Non-inhibitor 0.8932 CYP450 2C9 substrate Non-substrate 0.8 CYP450 2D6 substrate Non-substrate 0.8043 CYP450 3A4 substrate Non-substrate 0.6013 CYP450 1A2 substrate Non-inhibitor 0.5647 CYP450 2C9 inhibitor Non-inhibitor 0.9401 CYP450 2D6 inhibitor Non-inhibitor 0.8956 CYP450 2C19 inhibitor Non-inhibitor 0.8931 CYP450 3A4 inhibitor Non-inhibitor 0.8255 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9827 Ames test Non AMES toxic 0.5261 Carcinogenicity Non-carcinogens 0.9439 Biodegradation Not ready biodegradable 0.9546 Rat acute toxicity 2.2743 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.916 hERG inhibition (predictor II) Non-inhibitor 0.8304
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. DetailsDihydroneopterin aldolase
- Kind
- Protein
- Organism
- Staphylococcus aureus
- Pharmacological action
- Unknown
- General Function
- Isomerase activity
- Specific Function
- Catalyzes the conversion of 7,8-dihydroneopterin to 6-hydroxymethyl-7,8-dihydropterin. Can also catalyze the epimerization of carbon 2' of dihydroneopterin to dihydromonapterin.
- Gene Name
- folB
- Uniprot ID
- P56740
- Uniprot Name
- Dihydroneopterin aldolase
- Molecular Weight
- 13750.58 Da
References
Enzymes
1. DetailsCytochrome P450 1A2
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- No
- Actions
- Substrate
- General Function
- Oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen
- Specific Function
- Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally un...
- Gene Name
- CYP1A2
- Uniprot ID
- P05177
- Uniprot Name
- Cytochrome P450 1A2
- Molecular Weight
- 58293.76 Da
Drug created at June 13, 2005 13:24 / Updated at July 02, 2020 13:17