Protoporphyrin
Identification
- Generic Name
- Protoporphyrin
- DrugBank Accession Number
- DB02285
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Protoporphyrin (DB02285)
- Weight
- Average: 562.6582
Monoisotopic: 562.258005596 - Chemical Formula
- C34H34N4O4
- Synonyms
- Protoporphyrin IX
Pharmacology
- Indication
Not Available
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UFerritin light chain Not Available Humans - 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
- Adverse Effects
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data- Toxicity
Not Available
- Pathways
Pathway Category Porphyrin Metabolism Metabolic Acute Intermittent Porphyria Disease Porphyria Variegata (PV) Disease Hereditary Coproporphyria (HCP) Disease Congenital Erythropoietic Porphyria (CEP) or Gunther Disease Disease - Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwarePorfimer sodium Protoporphyrin may increase the photosensitizing activities of Porfimer sodium. Tretinoin The risk or severity of adverse effects can be increased when Tretinoin is combined with Protoporphyrin. Verteporfin Protoporphyrin may increase the photosensitizing activities of Verteporfin. 
Improve patient outcomesBuild effective decision support tools with the industry’s most comprehensive drug-drug interaction checker.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- C2K325S808
- CAS number
- 553-12-8
- InChI Key
- KSFOVUSSGSKXFI-UJJXFSCMSA-N
- InChI
- InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
- IUPAC Name
- 3-[20-(2-carboxyethyl)-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoic acid
- SMILES
- CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C)C(C=C)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(C=C)=C4C)/C(C)=C3CCC(O)=O
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
- Human Metabolome Database
- HMDB0000241
- KEGG Compound
- C02191
- PubChem Compound
- 4971
- PubChem Substance
- 46506247
- ChemSpider
- 10469486
- BindingDB
- 50004784
- ChEBI
- 15430
- ChEMBL
- CHEMBL1325592
- Therapeutic Targets Database
- DNC001154
- PDBe Ligand
- PP9
- Wikipedia
- Protoporphyrin_IX
Clinical Trials
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
Property Value Source Water Solubility 0.0217 mg/mL ALOGPS logP 4.4 ALOGPS logP 6.78 ChemAxon logS -4.4 ALOGPS pKa (Strongest Acidic) 3.68 ChemAxon pKa (Strongest Basic) 4.96 ChemAxon Physiological Charge -2 ChemAxon Hydrogen Acceptor Count 6 ChemAxon Hydrogen Donor Count 4 ChemAxon Polar Surface Area 131.96 Å2 ChemAxon Rotatable Bond Count 8 ChemAxon Refractivity 163.81 m3·mol-1 ChemAxon Polarizability 65.97 Å3 ChemAxon Number of Rings 5 ChemAxon Bioavailability 0 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes ChemAxon - 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
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
Accelerate your drug discovery research
with our fully connected ADMET & drug target dataset.
Accelerate your drug discovery research with our ADMET & drug target dataset
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Iron ion binding
- Specific Function
- Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation. Also plays a ro...
- Gene Name
- FTL
- Uniprot ID
- P02792
- Uniprot Name
- Ferritin light chain
- Molecular Weight
- 20019.49 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Drug created on June 13, 2005 13:24 / Updated on July 02, 2020 13:14