Identification
- Generic Name
- Methylamine
- DrugBank Accession Number
- DB01828
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Methylamine (DB01828)
- Weight
- Average: 31.0571
Monoisotopic: 31.042199165 - Chemical Formula
- CH5N
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
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 UAmmonia channel Not Available Escherichia coli (strain K12) - 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
Pathway Category Citalopram Metabolism Pathway Drug metabolism Tyrosine Metabolism Metabolic Tyrosinemia Type I Disease Citalopram Action Pathway Drug action Disulfiram Action Pathway Drug action Alkaptonuria Disease Hawkinsinuria Disease Tyrosinemia, Transient, of the Newborn Disease Dopamine beta-Hydroxylase Deficiency Disease Monoamine Oxidase-A Deficiency (MAO-A) Disease - 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
- Kingdom
- Organic compounds
- Super Class
- Organic nitrogen compounds
- Class
- Organonitrogen compounds
- Sub Class
- Amines
- Direct Parent
- Monoalkylamines
- Alternative Parents
- Organopnictogen compounds / Hydrocarbon derivatives
- Substituents
- Aliphatic acyclic compound / Hydrocarbon derivative / Organopnictogen compound / Primary aliphatic amine
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- one-carbon compound, primary aliphatic amine, methylamines (CHEBI:16830) / a small molecule (METHYLAMINE)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- BSF23SJ79E
- CAS number
- 74-89-5
- InChI Key
- BAVYZALUXZFZLV-UHFFFAOYSA-N
- InChI
- InChI=1S/CH5N/c1-2/h2H2,1H3
- IUPAC Name
- methanamine
- SMILES
- CN
References
- Synthesis Reference
Charles Pigerol, Pierre Eymard, Jean-Claude Vernieres, Jean-Pierre Werbenec, "Active derivatives of methylamine, therapeutic compositions containing the same and processes for preparing the said derivatives and compositions." U.S. Patent US4026925, issued March, 1956.
US4026925- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0000164
- KEGG Compound
- C00218
- PubChem Compound
- 6329
- PubChem Substance
- 46507449
- ChemSpider
- 6089
- BindingDB
- 50416492
- ChEBI
- 16830
- ChEMBL
- CHEMBL43280
- PDBe Ligand
- NME
- Wikipedia
- Methylamine
- PDB Entries
- 1apv / 1apw / 1ddy / 1u7c / 1v6d / 2g5z / 2k4g / 2kvj / 3axk / 3axm … show 2 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) -93.4 °C PhysProp boiling point (°C) -6.3 °C PhysProp water solubility 1.08E+006 mg/L (at 25 °C) SCHWEIZER,AE ET AL. (1978) logP -0.57 HANSCH,C ET AL. (1995) pKa 10.6 DEAN,JA (1987) - Predicted Properties
Property Value Source Water Solubility 367.0 mg/mL ALOGPS logP -1.1 ALOGPS logP -0.63 Chemaxon logS 1.07 ALOGPS pKa (Strongest Basic) 10.08 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 26.02 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 9.92 m3·mol-1 Chemaxon Polarizability 3.86 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9759 Blood Brain Barrier + 0.9394 Caco-2 permeable + 0.6811 P-glycoprotein substrate Non-substrate 0.8684 P-glycoprotein inhibitor I Non-inhibitor 0.9875 P-glycoprotein inhibitor II Non-inhibitor 0.9877 Renal organic cation transporter Non-inhibitor 0.8865 CYP450 2C9 substrate Non-substrate 0.8546 CYP450 2D6 substrate Non-substrate 0.7879 CYP450 3A4 substrate Non-substrate 0.8005 CYP450 1A2 substrate Non-inhibitor 0.9568 CYP450 2C9 inhibitor Non-inhibitor 0.9616 CYP450 2D6 inhibitor Non-inhibitor 0.9538 CYP450 2C19 inhibitor Non-inhibitor 0.9736 CYP450 3A4 inhibitor Non-inhibitor 0.9643 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9433 Ames test Non AMES toxic 0.9444 Carcinogenicity Carcinogens 0.5549 Biodegradation Ready biodegradable 0.7561 Rat acute toxicity 2.3442 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9495 hERG inhibition (predictor II) Non-inhibitor 0.9672
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 111.19915 predictedDeepCCS 1.0 (2019) [M+H]+ 113.09457 predictedDeepCCS 1.0 (2019) [M+Na]+ 120.61688 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Uniporter activity
- Specific Function
- Involved in the uptake of ammonia.
- Gene Name
- amtB
- Uniprot ID
- P69681
- Uniprot Name
- Ammonia channel
- Molecular Weight
- 44514.335 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52