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Identification Name 9-Deazaguanine Accession Number DB04356 (EXPT00356) Type Small Molecule Groups Experimental Description Not Available Structure Synonyms Not Available External Identifiers Not Available Approved Prescription Products Not Available Approved Generic Prescription Products Not Available Approved Over the Counter Products Not Available Unapproved/Other Products Not Available International Brands Not Available Brand mixtures Not Available Salts Not Available Categories UNII Not Available CAS number Not Available Weight Not Available Chemical Formula C 6H 5N 4O InChI Key Not Available InChI Not Available IUPAC Name Not Available SMILES Not Available Pharmacology Indication Not Available Structured Indications Not Available Pharmacodynamics Not Available Mechanism of action
Target Kind Pharmacological action Actions Organism UniProt ID Hypoxanthine-guanine phosphoribosyltransferase Protein unknown Not Available Human P00492 details Related Articles 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 SNP Mediated Effects Not Available SNP Mediated Adverse Drug Reactions Not Available Interactions Drug Interactions Not Available Food Interactions Not Available References Synthesis Reference
Arthur J. Elliott, David A. Walsh, “Process for the preparation of 9-deazaguanine derivatives.” U.S. Patent US5650511, issued September, 1990.
US5650511 General References Not Available External Links ATC Codes Not Available AHFS Codes Not Available PDB Entries FDA label Not Available MSDS Not Available 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 Not Available Predicted ADMET features
Property Value Probability Human Intestinal Absorption + 0.9845 Blood Brain Barrier + 0.9509 Caco-2 permeable - 0.5468 P-glycoprotein substrate Non-substrate 0.6654 P-glycoprotein inhibitor I Non-inhibitor 0.9562 P-glycoprotein inhibitor II Non-inhibitor 0.9895 Renal organic cation transporter Non-inhibitor 0.8841 CYP450 2C9 substrate Non-substrate 0.8628 CYP450 2D6 substrate Non-substrate 0.7741 CYP450 3A4 substrate Non-substrate 0.6764 CYP450 1A2 substrate Non-inhibitor 0.7562 CYP450 2C9 inhibitor Non-inhibitor 0.9495 CYP450 2D6 inhibitor Non-inhibitor 0.8952 CYP450 2C19 inhibitor Non-inhibitor 0.8771 CYP450 3A4 inhibitor Non-inhibitor 0.9421 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.979 Ames test Non AMES toxic 0.6878 Carcinogenicity Non-carcinogens 0.9658 Biodegradation Not ready biodegradable 0.972 Rat acute toxicity 2.3603 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9505 hERG inhibition (predictor II) Non-inhibitor 0.9373
ADMET data is predicted using
, a free tool for evaluating chemical ADMET properties. (
Spectra Mass Spec (NIST) Not Available Spectra Taxonomy Classification Not classified Targets
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Drug created on June 13, 2005 07:24 / Updated on August 17, 2016 12:24