Cysteinamide

Identification

Generic Name
Cysteinamide
DrugBank Accession Number
DB03275
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Thumb
Weight
Average: 120.173
Monoisotopic: 120.035733578
Chemical Formula
C3H8N2OS
Synonyms
  • 2-amino-3-mercapto-propionamide
  • L-Cysteinamide

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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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
Adverseeffects
Improve decision support & research outcomes
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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
PubChem Compound
6540253
PubChem Substance
46508809
ChemSpider
5022653
PDBe Ligand
CY3
PDB Entries
1d7t / 1dfy / 1dfz / 1dg0 / 1r9i / 2byp / 2v1s / 2v1t / 5az8 / 5hpm
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Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCarcinoid tumour of the gastrointestinal tract / Islet Cell Tumor / Neoplastic Syndrome1

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
PropertyValueSource
logP-1.4ChemAxon
pKa (Strongest Acidic)9.98ChemAxon
pKa (Strongest Basic)8.08ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area69.11 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity30.05 m3·mol-1ChemAxon
Polarizability11.81 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9611
Blood Brain Barrier+0.9581
Caco-2 permeable-0.7198
P-glycoprotein substrateNon-substrate0.7148
P-glycoprotein inhibitor INon-inhibitor0.9307
P-glycoprotein inhibitor IINon-inhibitor0.9929
Renal organic cation transporterNon-inhibitor0.944
CYP450 2C9 substrateNon-substrate0.8795
CYP450 2D6 substrateNon-substrate0.7974
CYP450 3A4 substrateNon-substrate0.7843
CYP450 1A2 substrateNon-inhibitor0.6984
CYP450 2C9 inhibitorNon-inhibitor0.9401
CYP450 2D6 inhibitorNon-inhibitor0.9403
CYP450 2C19 inhibitorNon-inhibitor0.9157
CYP450 3A4 inhibitorNon-inhibitor0.861
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.8728
Ames testAMES toxic0.772
CarcinogenicityNon-carcinogens0.7279
BiodegradationNot ready biodegradable0.8568
Rat acute toxicity2.0646 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9948
hERG inhibition (predictor II)Non-inhibitor0.9631
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on June 13, 2005 13:24 / Updated on June 12, 2020 16:52