Identification
- Generic Name
- Zinc protoporphyrin
- DrugBank Accession Number
- DB03934
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Zinc protoporphyrin (DB03934)
- Weight
- Average: 626.03
Monoisotopic: 624.171498 - Chemical Formula
- C34H32N4O4Zn
- Synonyms
- Protoporphyrin IX containing Zn
- Zinc protoporphyrin-9
- Zinc-protoporphyrin IX
- ZPP
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UCytochrome c 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- LNV3FKZ7GR
- CAS number
- Not Available
- InChI Key
- FUTVBRXUIKZACV-RGGAHWMASA-L
- InChI
- InChI=1S/C34H34N4O4.Zn/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;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
- IUPAC Name
- zinc(2+) 4,20-bis(2-carboxyethyl)-9,14-diethenyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaene-21,23-diide
- SMILES
- [Zn++].CC1=C(CCC(O)=O)/C2=C/C3=N/C(=C\C4=C(C=C)C(C)=C([N-]4)/C=C4\N=C(\C=C\1/[N-]\2)C(C)=C4C=C)/C(C)=C3CCC(O)=O
References
- General References
- Not Available
- External Links
Clinical Trials
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
Property Value Source Water Solubility 0.0215 mg/mL ALOGPS logP 4.5 ALOGPS logP 6.58 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 3.79 Chemaxon pKa (Strongest Basic) 5.09 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 126.16 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 165.03 m3·mol-1 Chemaxon Polarizability 65.26 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 - 0.7947 Blood Brain Barrier + 0.5149 Caco-2 permeable - 0.595 P-glycoprotein substrate Substrate 0.6938 P-glycoprotein inhibitor I Non-inhibitor 0.5819 P-glycoprotein inhibitor II Non-inhibitor 0.6229 Renal organic cation transporter Non-inhibitor 0.7965 CYP450 2C9 substrate Non-substrate 0.7274 CYP450 2D6 substrate Non-substrate 0.8151 CYP450 3A4 substrate Substrate 0.5969 CYP450 1A2 substrate Inhibitor 0.6462 CYP450 2C9 inhibitor Non-inhibitor 0.7525 CYP450 2D6 inhibitor Non-inhibitor 0.5244 CYP450 2C19 inhibitor Non-inhibitor 0.7804 CYP450 3A4 inhibitor Non-inhibitor 0.7489 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.7073 Ames test Non AMES toxic 0.6008 Carcinogenicity Non-carcinogens 0.8853 Biodegradation Not ready biodegradable 1.0 Rat acute toxicity 2.6622 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9152 hERG inhibition (predictor II) Non-inhibitor 0.8951
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available
Targets
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Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Metal ion binding
- Specific Function
- Electron carrier protein. The oxidized form of the cytochrome c heme group can accept an electron from the heme group of the cytochrome c1 subunit of cytochrome reductase. Cytochrome c then transfe...
- Gene Name
- CYCS
- Uniprot ID
- P99999
- Uniprot Name
- Cytochrome c
- Molecular Weight
- 11748.69 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 at June 13, 2005 13:24 / Updated at October 16, 2020 03:34