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Identification
NameMercury Diiodide
Accession NumberDB04445  (EXPT01740)
Typesmall molecule
Groupsexperimental
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
SaltsNot Available
Brand namesNot Available
Brand mixturesNot Available
CategoriesNot Available
CAS numberNot Available
WeightAverage: 454.4
Monoisotopic: 455.779562444
Chemical FormulaHgI2
InChI KeyYFDLHELOZYVNJE-UHFFFAOYSA-L
InChI
InChI=1S/Hg.2HI/h;2*1H/q+2;;/p-2
IUPAC Name
diiodomercury
SMILES
I[Hg]I
Mass SpecNot Available
Taxonomy
KingdomInorganic Compounds
SuperclassMixed Metal/Non-metal Compounds
ClassTransition Metal Salts
SubclassTransition Metal Iodides
Direct parentTransition Metal Iodides
Alternative parentsNot Available
SubstituentsNot Available
Classification descriptionThis compound belongs to the transition metal iodides. These are inorganic compounds in which the largest halogen atom is Iodine, and the heaviest metal atom is a transition metal.
Pharmacology
IndicationNot Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
Metabolism
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
ADMET
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 substrate Non-inhibitor 0.7584
CYP450 2D6 substrate Non-inhibitor 0.8758
CYP450 2C19 substrate Non-inhibitor 0.802
CYP450 3A4 substrate 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
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
Statesolid
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
logP1.17ChemAxon
physiological charge0ChemAxon
hydrogen acceptor count0ChemAxon
hydrogen donor count0ChemAxon
polar surface area0ChemAxon
rotatable bond count0ChemAxon
refractivity26.68ChemAxon
polarizability13.13ChemAxon
number of rings0ChemAxon
bioavailability1ChemAxon
rule of fiveYesChemAxon
Ghose filterNoChemAxon
Veber's ruleYesChemAxon
MDDR-like ruleNoChemAxon
Spectra
SpectraNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
External Links
ResourceLink
PubChem Compound24485
PubChem Substance46505328
ChemSpider22893
ChEBI49659
ChEMBL
HETHGI
ATC CodesNot Available
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
Interactions
Drug InteractionsNot Available
Food InteractionsNot Available

Targets

1. Bile salt sulfotransferase

Kind: protein

Organism: Human

Pharmacological action: unknown

Components

Name UniProt ID Details
Bile salt sulfotransferase Q06520 Details

References:

  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. 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. Pubmed

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Drug created on June 13, 2005 07:24 / Updated on September 16, 2013 17:24