Cysteinamide
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Identification
- Generic Name
- Cysteinamide
- DrugBank Accession Number
- DB03275
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 120.173
Monoisotopic: 120.035733578 - Chemical Formula
- C3H8N2OS
- Synonyms
- 2-amino-3-mercapto-propionamide
- L-Cysteinamide
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- 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 alpha amino acid amides. These are amide derivatives of alpha amino acids.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Alpha amino acid amides
- Alternative Parents
- Cysteine and derivatives / Primary carboxylic acid amides / Alkylthiols / Organic oxides / Monoalkylamines / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic acyclic compound / Alkylthiol / Alpha-amino acid amide / Amine / Carbonyl group / Carboxamide group / Cysteine or derivatives / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 055X467671
- CAS number
- 74401-72-2
- InChI Key
- YEDNBEGNKOANMB-REOHCLBHSA-N
- InChI
- InChI=1S/C3H8N2OS/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1
- IUPAC Name
- (2R)-2-amino-3-sulfanylpropanamide
- SMILES
- N[C@@H](CS)C(N)=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1d7t / 1dfy / 1dfz / 1dg0 / 1r9i / 2byp / 2v1s / 2v1t / 5az8 / 5hpm … show 6 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Gastrointestinal Carcinoid Tumor / Neoplastic Syndrome / Pancreatic Islet Cell Tumors 1
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 -1.4 Chemaxon pKa (Strongest Acidic) 9.98 Chemaxon pKa (Strongest Basic) 8.08 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 69.11 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 30.05 m3·mol-1 Chemaxon Polarizability 11.81 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 + 0.9611 Blood Brain Barrier + 0.9581 Caco-2 permeable - 0.7198 P-glycoprotein substrate Non-substrate 0.7148 P-glycoprotein inhibitor I Non-inhibitor 0.9307 P-glycoprotein inhibitor II Non-inhibitor 0.9929 Renal organic cation transporter Non-inhibitor 0.944 CYP450 2C9 substrate Non-substrate 0.8795 CYP450 2D6 substrate Non-substrate 0.7974 CYP450 3A4 substrate Non-substrate 0.7843 CYP450 1A2 substrate Non-inhibitor 0.6984 CYP450 2C9 inhibitor Non-inhibitor 0.9401 CYP450 2D6 inhibitor Non-inhibitor 0.9403 CYP450 2C19 inhibitor Non-inhibitor 0.9157 CYP450 3A4 inhibitor Non-inhibitor 0.861 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8728 Ames test AMES toxic 0.772 Carcinogenicity Non-carcinogens 0.7279 Biodegradation Not ready biodegradable 0.8568 Rat acute toxicity 2.0646 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9948 hERG inhibition (predictor II) Non-inhibitor 0.9631
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-002f-9000000000-523f2fbbfa898861c141 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00fr-4900000000-99f44b817842345200ad Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-2900000000-e327e3eee7213582069a Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-056r-9000000000-b3d5621c265effbaf0e4 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-07e636d5250b3646f2ec Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-640f27625144f89e49ae Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a6s-9000000000-f71176ca983f7ec3a134 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 117.210964 predictedDarkChem Lite v0.1.0 [M-H]- 126.295204 predictedDeepCCS 1.0 (2019) [M+H]+ 117.697364 predictedDarkChem Lite v0.1.0 [M+H]+ 128.84871 predictedDeepCCS 1.0 (2019) [M+Na]+ 117.159864 predictedDarkChem Lite v0.1.0 [M+Na]+ 137.26692 predictedDeepCCS 1.0 (2019)
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52