Identification
- Generic Name
- S-Arsonocysteine
- DrugBank Accession Number
- DB03352
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for S-Arsonocysteine (DB03352)
- Weight
- Average: 245.086
Monoisotopic: 244.933914478 - Chemical Formula
- C3H8AsNO5S
- Synonyms
- S-Arsono-L-cysteine
- S-Arsonocysteine
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 UArsenate reductase Not Available Escherichia coli UProtein ArsC Not Available Staphylococcus aureus U3-mercaptopyruvate sulfurtransferase Not Available Leishmania major - 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 l-cysteine-s-conjugates. These are compounds containing L-cysteine where the thio-group is conjugated.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- L-cysteine-S-conjugates
- Alternative Parents
- L-alpha-amino acids / Amino acids / Sulfenyl compounds / Organic metalloid salts / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives show 1 more
- Substituents
- Aliphatic acyclic compound / Alpha-amino acid / Amine / Amino acid / Carbonyl group / Carboxylic acid / Hydrocarbon derivative / L-alpha-amino acid / L-cysteine-s-conjugate / Monocarboxylic acid or derivatives show 12 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
- XSWAJYRRDHPZDP-REOHCLBHSA-N
- InChI
- InChI=1S/C3H8AsNO5S/c5-2(3(6)7)1-11-4(8,9)10/h2H,1,5H2,(H,6,7)(H2,8,9,10)/t2-/m0/s1
- IUPAC Name
- (2R)-2-amino-3-(arsonosulfanyl)propanoic acid
- SMILES
- N[C@@H](CS[As](O)(O)=O)C(O)=O
References
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 40.4 mg/mL ALOGPS logP -3 ALOGPS logP -4.1 Chemaxon logS -0.78 ALOGPS pKa (Strongest Acidic) 1.1 Chemaxon pKa (Strongest Basic) 9.22 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 120.85 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 34.01 m3·mol-1 Chemaxon Polarizability 17.38 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 - 0.5626 Blood Brain Barrier + 0.6809 Caco-2 permeable - 0.7012 P-glycoprotein substrate Non-substrate 0.792 P-glycoprotein inhibitor I Non-inhibitor 0.9766 P-glycoprotein inhibitor II Non-inhibitor 1.0 Renal organic cation transporter Non-inhibitor 0.9629 CYP450 2C9 substrate Non-substrate 0.8075 CYP450 2D6 substrate Non-substrate 0.8176 CYP450 3A4 substrate Non-substrate 0.7391 CYP450 1A2 substrate Non-inhibitor 0.738 CYP450 2C9 inhibitor Non-inhibitor 0.8589 CYP450 2D6 inhibitor Non-inhibitor 0.9227 CYP450 2C19 inhibitor Non-inhibitor 0.8592 CYP450 3A4 inhibitor Non-inhibitor 0.8652 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9953 Ames test Non AMES toxic 0.7379 Carcinogenicity Non-carcinogens 0.7568 Biodegradation Ready biodegradable 0.7066 Rat acute toxicity 2.0653 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.987 hERG inhibition (predictor II) Non-inhibitor 0.9631
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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- Kind
- Protein
- Organism
- Escherichia coli
- Pharmacological action
- Unknown
- General Function
- Arsenate reductase (glutaredoxin) activity
- Specific Function
- Reduction of arsenate [As(V)] to arsenite [As(III)]. This protein expands the substrate specificity of ArsAB pump which can extrude arsenite and antimonite to allow for arsenate pumping and resista...
- Gene Name
- arsC
- Uniprot ID
- P08692
- Uniprot Name
- Arsenate reductase
- Molecular Weight
- 15830.1 Da
References
- Kind
- Protein
- Organism
- Staphylococcus aureus
- Pharmacological action
- Unknown
- General Function
- Protein tyrosine phosphatase activity
- Specific Function
- Reduces arsenate [As(V)] to arsenite [As(III)] and dephosphorylates tyrosine phosphorylated proteins, low-MW aryl phosphates and natural and synthetic acyl phosphates. Could switch between differen...
- Gene Name
- arsC
- Uniprot ID
- P0A006
- Uniprot Name
- Protein ArsC
- Molecular Weight
- 14812.62 Da
References
- Kind
- Protein
- Organism
- Leishmania major
- Pharmacological action
- Unknown
- General Function
- 3-mercaptopyruvate sulfurtransferase activity
- Specific Function
- Not Available
- Gene Name
- MST
- Uniprot ID
- Q7K9G0
- Uniprot Name
- 3-mercaptopyruvate sulfurtransferase
- Molecular Weight
- 40154.325 Da
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52