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Identification Name 1,2,4-Triazole Accession Number DB03594 (EXPT03109) 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 2H 2N 3 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 + 0.9971 Blood Brain Barrier + 0.9824 Caco-2 permeable + 0.5321 P-glycoprotein substrate Non-substrate 0.7929 P-glycoprotein inhibitor I Non-inhibitor 0.9717 P-glycoprotein inhibitor II Non-inhibitor 0.9853 Renal organic cation transporter Non-inhibitor 0.8009 CYP450 2C9 substrate Non-substrate 0.8976 CYP450 2D6 substrate Non-substrate 0.9035 CYP450 3A4 substrate Non-substrate 0.8119 CYP450 1A2 substrate Non-inhibitor 0.9089 CYP450 2C9 inhibitor Non-inhibitor 0.9489 CYP450 2D6 inhibitor Non-inhibitor 0.9624 CYP450 2C19 inhibitor Non-inhibitor 0.9526 CYP450 3A4 inhibitor Non-inhibitor 0.8859 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8445 Ames test Non AMES toxic 0.8025 Carcinogenicity Non-carcinogens 0.8166 Biodegradation Not ready biodegradable 0.6566 Rat acute toxicity 1.9038 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9049 hERG inhibition (predictor II) Non-inhibitor 0.9763
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
Franco Gozzo, Pier M. Boschi, Angelo Longoni, “Phosphoric esters derived from 1,2,4-triazole having an insecticidal, nematocidal and acaricidal action, and their preparation.” U.S. Patent US4400517, issued August, 1954.
US4400517 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 August 17, 2016 12:23