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Identification Name 3''-(Beta-Chloroethyl)-2'',4''-Dioxo-3, 5''-Spiro-Oxazolidino-4-Deacetoxy-Vinblastine Accession Number DB02868 (EXPT01963) 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 46H 55ClN 5O 7 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 + 1.0 Blood Brain Barrier - 0.8722 Caco-2 permeable + 0.8867 P-glycoprotein substrate Substrate 0.8653 P-glycoprotein inhibitor I Inhibitor 0.6988 P-glycoprotein inhibitor II Inhibitor 0.8007 Renal organic cation transporter Non-inhibitor 0.88 CYP450 2C9 substrate Non-substrate 0.7654 CYP450 2D6 substrate Non-substrate 0.8895 CYP450 3A4 substrate Substrate 0.7913 CYP450 1A2 substrate Non-inhibitor 0.8698 CYP450 2C9 inhibitor Non-inhibitor 0.7113 CYP450 2D6 inhibitor Non-inhibitor 0.8468 CYP450 2C19 inhibitor Non-inhibitor 0.6922 CYP450 3A4 inhibitor Inhibitor 0.8095 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.7418 Ames test Non AMES toxic 0.7576 Carcinogenicity Non-carcinogens 0.8276 Biodegradation Not ready biodegradable 1.0 Rat acute toxicity 2.8843 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9404 hERG inhibition (predictor II) Inhibitor 0.5
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 17:19