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Identification Name 2-(2-Oxo-1,2-Dihydro-Pyridin-3-Yl)-1h-Benzoimidazole-5-Carboxamidine Accession Number DB04442 (EXPT00015) 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 Not Available UNII Not Available CAS number Not Available Weight Not Available Chemical Formula C 13H 11N 5O InChI Key Not Available InChI Not Available IUPAC Name Not Available SMILES Not Available Taxonomy Classification Not classified Pharmacology Indication Not Available Pharmacodynamics Not Available Mechanism of action Not Available 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 ADMET Predicted ADMET features
Property Value Probability Human Intestinal Absorption + 0.8901 Blood Brain Barrier + 0.9357 Caco-2 permeable - 0.6879 P-glycoprotein substrate Non-substrate 0.6081 P-glycoprotein inhibitor I Non-inhibitor 0.9155 P-glycoprotein inhibitor II Non-inhibitor 0.9199 Renal organic cation transporter Non-inhibitor 0.7245 CYP450 2C9 substrate Non-substrate 0.7512 CYP450 2D6 substrate Non-substrate 0.8086 CYP450 3A4 substrate Non-substrate 0.5961 CYP450 1A2 substrate Inhibitor 0.8437 CYP450 2C9 inhibitor Non-inhibitor 0.8562 CYP450 2D6 inhibitor Non-inhibitor 0.8246 CYP450 2C19 inhibitor Non-inhibitor 0.6655 CYP450 3A4 inhibitor Non-inhibitor 0.8124 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8259 Ames test Non AMES toxic 0.5683 Carcinogenicity Non-carcinogens 0.9279 Biodegradation Not ready biodegradable 0.9941 Rat acute toxicity 2.5867 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.995 hERG inhibition (predictor II) Non-inhibitor 0.692
ADMET data is predicted using
, a free tool for evaluating chemical ADMET properties. (
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 Spectra Mass Spec (NIST) Not Available Spectra References Synthesis Reference Not Available General References Not Available External Links ATC Codes Not Available AHFS Codes Not Available PDB Entries FDA label Not Available MSDS Not Available Interactions Drug Interactions Not Available Food Interactions Not Available Targets
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Drug created on June 13, 2005 07:24 / Updated on September 16, 2013 17:24