You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on DrugBank.
Identification
NamePhenylmercury
Accession NumberDB04558  (EXPT02585)
TypeSmall Molecule
GroupsExperimental
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
Prescription ProductsNot Available
Generic Prescription ProductsNot Available
Over the Counter ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
SaltsNot Available
CategoriesNot Available
CAS numberNot Available
WeightAverage: 277.69
Monoisotopic: 279.009750764
Chemical FormulaC6H5Hg
InChI KeyDCNLOVYDMCVNRZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5.Hg/c1-2-4-6-5-3-1;/h1-5H;
IUPAC Name
phenylmercury
SMILES
[Hg]C1=CC=CC=C1
Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassNot Available
Direct ParentBenzene and substituted derivatives
Alternative Parents
Substituents
  • Aryl mercury compound
  • Monocyclic benzene moiety
  • Hydrocarbon derivative
  • Organometallic compound
  • Organomercurial-compound
  • Organic transition metal moeity
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
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
PropertyValueProbability
Human Intestinal Absorption+0.9932
Blood Brain Barrier+0.9708
Caco-2 permeable+0.8901
P-glycoprotein substrateNon-substrate0.8339
P-glycoprotein inhibitor INon-inhibitor0.98
P-glycoprotein inhibitor IINon-inhibitor0.9915
Renal organic cation transporterNon-inhibitor0.8594
CYP450 2C9 substrateNon-substrate0.8313
CYP450 2D6 substrateNon-substrate0.9065
CYP450 3A4 substrateNon-substrate0.8215
CYP450 1A2 substrateNon-inhibitor0.69
CYP450 2C9 substrateNon-inhibitor0.9071
CYP450 2D6 substrateNon-inhibitor0.9426
CYP450 2C19 substrateNon-inhibitor0.9127
CYP450 3A4 substrateNon-inhibitor0.9635
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.7655
Ames testNon AMES toxic0.9773
CarcinogenicityNon-carcinogens0.5727
BiodegradationReady biodegradable0.6464
Rat acute toxicity1.8945 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9374
hERG inhibition (predictor II)Non-inhibitor0.9707
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
StateSolid
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
Water Solubility50.7 mg/mLALOGPS
logP0.55ALOGPS
logP0.9ChemAxon
logS-0.74ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity25.47 m3·mol-1ChemAxon
Polarizability10.76 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Mass Spec (NIST)Not Available
SpectraNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
Interactions
Drug InteractionsNot Available
Food InteractionsNot Available

Targets

1. Coagulation factor V

Kind: protein

Organism: Human

Pharmacological action: unknown

Components

Name UniProt ID Details
Coagulation factor V P12259 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

Comments
comments powered by Disqus
Drug created on June 13, 2005 07:24 / Updated on September 16, 2013 17:25