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Identification Name Protoporphyrin Ix Accession Number DB02285 (EXPT02636) 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 C2K325S808 CAS number 553-12-8 Weight Not Available Chemical Formula C 34H 33N 4O 4 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
Pathway Category SMPDB ID Hereditary Coproporphyria (HCP) Disease SMP00342 Porphyrin Metabolism Metabolic SMP00024 Acute Intermittent Porphyria Disease SMP00344 Congenital Erythropoietic Porphyria (CEP) or Gunther Disease Disease SMP00345 Porphyria Variegata (PV) Disease SMP00346 SNP Mediated Effects Not Available SNP Mediated Adverse Drug Reactions Not Available ADMET Predicted ADMET features
Property Value Probability Human Intestinal Absorption - 0.622 Blood Brain Barrier + 0.6268 Caco-2 permeable - 0.7138 P-glycoprotein substrate Substrate 0.6404 P-glycoprotein inhibitor I Non-inhibitor 0.705 P-glycoprotein inhibitor II Non-inhibitor 0.8478 Renal organic cation transporter Non-inhibitor 0.8067 CYP450 2C9 substrate Non-substrate 0.8106 CYP450 2D6 substrate Non-substrate 0.8237 CYP450 3A4 substrate Substrate 0.5341 CYP450 1A2 substrate Inhibitor 0.9107 CYP450 2C9 inhibitor Inhibitor 0.8949 CYP450 2D6 inhibitor Non-inhibitor 0.7052 CYP450 2C19 inhibitor Non-inhibitor 0.8749 CYP450 3A4 inhibitor Non-inhibitor 0.8733 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8535 Ames test Non AMES toxic 0.7111 Carcinogenicity Non-carcinogens 0.9123 Biodegradation Not ready biodegradable 0.9479 Rat acute toxicity 2.5655 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9808 hERG inhibition (predictor II) Non-inhibitor 0.9459
ADMET data is predicted using
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Pharmacoeconomics Manufacturers Not Available Packagers Not Available Dosage forms Not Available Prices Not Available Patents Not Available Properties State Solid Experimental Properties
Property Value Source water solubility 169 mg/L (at 25 °C) YALKOWSKY,SH & DANNENFELSER,RM (1992) Predicted Properties Not Available Spectra Mass Spec (NIST) Not Available Spectra References Synthesis Reference
Elaine A. Best, Charles Lee Hershberger, Christopher Carl Frye, “Methods of reducing the levels of protoporphyrin IX in recombinant hemoglobin preparations.” U.S. Patent US6136565, issued April, 1998.
US6136565 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 17:17