Mercuric iodide
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Identification
- Generic Name
- Mercuric iodide
- DrugBank Accession Number
- DB04445
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 454.4
Monoisotopic: 455.779562444 - Chemical Formula
- HgI2
- Synonyms
- Hydrargyrum bijodatum
- Mercuric iodide red
- Mercuric iodide, red
- Mercury Diiodide
- Red mercuric iodide
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism USulfotransferase 2A1 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
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- 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
- ATC Codes
- D08AK30 — Mercuric iodide
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of inorganic compounds known as transition metal iodides. These are inorganic compounds in which the largest halogen atom is Iodine, and the heaviest metal atom is a transition metal.
- Kingdom
- Inorganic compounds
- Super Class
- Mixed metal/non-metal compounds
- Class
- Transition metal salts
- Sub Class
- Transition metal iodides
- Direct Parent
- Transition metal iodides
- Alternative Parents
- Inorganic salts / Inorganic mercury compounds
- Substituents
- Inorganic mercury compound / Inorganic salt / Transition metal iodide
- Molecular Framework
- Not Available
- External Descriptors
- mercury coordination entity (CHEBI:49659)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- R03O05RB0P
- CAS number
- 7774-29-0
- InChI Key
- YFDLHELOZYVNJE-UHFFFAOYSA-L
- InChI
- InChI=1S/Hg.2HI/h;2*1H/q+2;;/p-2
- IUPAC Name
- diiodomercury
- SMILES
- I[Hg]I
References
- General References
- Not Available
- External Links
- PubChem Compound
- 24485
- PubChem Substance
- 46505328
- ChemSpider
- 22893
- 1426941
- ChEBI
- 49659
- ChEMBL
- CHEMBL1233307
- PDBe Ligand
- HGI
- Wikipedia
- Mercury(II)_iodide
- PDB Entries
- 1j99 / 6bri
Clinical Trials
- Clinical Trials
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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
- Not Available
- Predicted Properties
Property Value Source logP 1.17 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 26.68 m3·mol-1 Chemaxon Polarizability 13.13 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9671 Blood Brain Barrier + 0.9752 Caco-2 permeable + 0.6116 P-glycoprotein substrate Non-substrate 0.8971 P-glycoprotein inhibitor I Non-inhibitor 0.9694 P-glycoprotein inhibitor II Non-inhibitor 0.9941 Renal organic cation transporter Non-inhibitor 0.9286 CYP450 2C9 substrate Non-substrate 0.8156 CYP450 2D6 substrate Non-substrate 0.7951 CYP450 3A4 substrate Non-substrate 0.7696 CYP450 1A2 substrate Non-inhibitor 0.5774 CYP450 2C9 inhibitor Non-inhibitor 0.7584 CYP450 2D6 inhibitor Non-inhibitor 0.8758 CYP450 2C19 inhibitor Non-inhibitor 0.802 CYP450 3A4 inhibitor Non-inhibitor 0.9088 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9107 Ames test Non AMES toxic 0.7605 Carcinogenicity Carcinogens 0.7208 Biodegradation Not ready biodegradable 0.7807 Rat acute toxicity 3.0732 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9345 hERG inhibition (predictor II) Non-inhibitor 0.9643
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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1. DetailsSulfotransferase 2A1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfonation of steroids and bile acids in the liver and adrenal glands. Mediates the sulfation of a wide range of steroids and sterols, including pregnenolone, androsterone, DHEA, bile acids, cholesterol and as well many xenobiotics that contain alcohol and phenol functional groups (PubMed:14573603, PubMed:18042734, PubMed:19589875, PubMed:21187059, PubMed:2268288, PubMed:29671343, PubMed:7678732, PubMed:7854148). Sulfonation increases the water solubility of most compounds, and therefore their renal excretion, but it can also result in bioactivation to form active metabolites. Plays an important role in maintening steroid and lipid homeostasis (PubMed:14573603, PubMed:19589875, PubMed:21187059). Plays a key role in bile acid metabolism (PubMed:2268288). In addition, catalyzes the metabolic activation of potent carcinogenic polycyclic arylmethanols (By similarity)
- Specific Function
- 3'-phosphoadenosine 5'-phosphosulfate binding
- Gene Name
- SULT2A1
- Uniprot ID
- Q06520
- Uniprot Name
- Sulfotransferase 2A1
- Molecular Weight
- 33779.57 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52