Identification
- Generic Name
- S-(Methylmercury)-L-Cysteine
- DrugBank Accession Number
- DB02750
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for S-(Methylmercury)-L-Cysteine (DB02750)
- Weight
- Average: 335.77
Monoisotopic: 337.006024831 - Chemical Formula
- C4H9HgNO2S
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UElongation factor Tu GTP-binding domain-containing protein 1 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. View sample adverse effects data in our new Data Library!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
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as cysteine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Cysteine and derivatives
- Alternative Parents
- D-alpha-amino acids / Amino acids / Sulfenyl compounds / Organic transition metal salts / Monocarboxylic acids and derivatives / Carboxylic acids / Transition metal alkyls / Organopnictogen compounds / Organic oxides / Monoalkylamines show 3 more
- Substituents
- Aliphatic acyclic compound / Alkyl mercury compound / Alpha-amino acid / Amine / Amino acid / Carbonyl group / Carboxylic acid / Cysteine or derivatives / D-alpha-amino acid / Hydrocarbon derivative show 18 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- OMYFBIZVJYGJJA-YBBRRFGFSA-M
- InChI
- InChI=1S/C3H7NO2S.CH3.Hg/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H3;/q;;+1/p-1/t2-;;/m1../s1
- IUPAC Name
- (2S)-2-amino-3-[(methylmercurio)sulfanyl]propanoic acid
- SMILES
- C[Hg]SC[C@@H](N)C(O)=O
References
- General References
- Simmons-Willis TA, Koh AS, Clarkson TW, Ballatori N: Transport of a neurotoxicant by molecular mimicry: the methylmercury-L-cysteine complex is a substrate for human L-type large neutral amino acid transporter (LAT) 1 and LAT2. Biochem J. 2002 Oct 1;367(Pt 1):239-46. [Article]
- 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 20.2 mg/mL ALOGPS logP -2.4 ALOGPS logP -3.4 Chemaxon logS -1.2 ALOGPS pKa (Strongest Acidic) 1.76 Chemaxon pKa (Strongest Basic) 9.21 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 63.32 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 33.22 m3·mol-1 Chemaxon Polarizability 15.59 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9833 Blood Brain Barrier + 0.7426 Caco-2 permeable - 0.693 P-glycoprotein substrate Non-substrate 0.6845 P-glycoprotein inhibitor I Non-inhibitor 0.9816 P-glycoprotein inhibitor II Non-inhibitor 1.0 Renal organic cation transporter Non-inhibitor 0.9222 CYP450 2C9 substrate Non-substrate 0.8456 CYP450 2D6 substrate Non-substrate 0.7909 CYP450 3A4 substrate Non-substrate 0.7525 CYP450 1A2 substrate Non-inhibitor 0.8671 CYP450 2C9 inhibitor Non-inhibitor 0.9289 CYP450 2D6 inhibitor Non-inhibitor 0.9371 CYP450 2C19 inhibitor Non-inhibitor 0.9353 CYP450 3A4 inhibitor Non-inhibitor 0.9128 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9924 Ames test Non AMES toxic 0.6878 Carcinogenicity Non-carcinogens 0.8072 Biodegradation Not ready biodegradable 0.5762 Rat acute toxicity 1.8783 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9851 hERG inhibition (predictor II) Non-inhibitor 0.9747
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Ribosome binding
- Specific Function
- Involved in the biogenesis of the 60S ribosomal subunit and translational activation of ribosomes. Together with SBDS, triggers the GTP-dependent release of EIF6 from 60S pre-ribosomes in the cytop...
- Gene Name
- EFTUD1
- Uniprot ID
- Q7Z2Z2
- Uniprot Name
- Elongation factor Tu GTP-binding domain-containing protein 1
- Molecular Weight
- 125428.745 Da
References
- 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]
Transporters
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Peptide antigen binding
- Specific Function
- Sodium-independent, high-affinity transport of large neutral amino acids such as phenylalanine, tyrosine, leucine, arginine and tryptophan, when associated with SLC3A2/4F2hc. Involved in cellular a...
- Gene Name
- SLC7A5
- Uniprot ID
- Q01650
- Uniprot Name
- Large neutral amino acids transporter small subunit 1
- Molecular Weight
- 55009.62 Da
References
- Simmons-Willis TA, Koh AS, Clarkson TW, Ballatori N: Transport of a neurotoxicant by molecular mimicry: the methylmercury-L-cysteine complex is a substrate for human L-type large neutral amino acid transporter (LAT) 1 and LAT2. Biochem J. 2002 Oct 1;367(Pt 1):239-46. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Toxin transporter activity
- Specific Function
- Sodium-independent, high-affinity transport of small and large neutral amino acids such as alanine, serine, threonine, cysteine, phenylalanine, tyrosine, leucine, arginine and tryptophan, when asso...
- Gene Name
- SLC7A8
- Uniprot ID
- Q9UHI5
- Uniprot Name
- Large neutral amino acids transporter small subunit 2
- Molecular Weight
- 58381.12 Da
References
- Simmons-Willis TA, Koh AS, Clarkson TW, Ballatori N: Transport of a neurotoxicant by molecular mimicry: the methylmercury-L-cysteine complex is a substrate for human L-type large neutral amino acid transporter (LAT) 1 and LAT2. Biochem J. 2002 Oct 1;367(Pt 1):239-46. [Article]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52