Methyl pyrrolidone
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Methyl pyrrolidone
- DrugBank Accession Number
- DB12521
- Background
N Methyl Pyrrolidone is under investigation for the treatment of Multiple Myeloma.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 99.1311
Monoisotopic: 99.068413915 - Chemical Formula
- C5H9NO
- Synonyms
- 1-methyl-2-pyrrolidinone
- 1-methyl-2-pyrrolidone
- 1-methyl-5-pyrrolidinone
- 1-methylpyrrolidinone
- Methylpyrrolidone
- N-methyl-2-pyrrolidone
- N-methyl-pyrrolidone
- N-methylpyrrolidone
- NMP
- External IDs
- NSC-4594
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyrrolidines
- Sub Class
- N-alkylpyrrolidines
- Direct Parent
- N-alkylpyrrolidines
- Alternative Parents
- Pyrrolidine-2-ones / Tertiary carboxylic acid amides / Lactams / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- 2-pyrrolidone / Aliphatic heteromonocyclic compound / Azacycle / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Hydrocarbon derivative / Lactam / N-alkylpyrrolidine / Organic nitrogen compound
- Molecular Framework
- Aliphatic heteromonocyclic compounds
- External Descriptors
- lactam, pyrrolidin-2-ones, N-alkylpyrrolidine (CHEBI:7307)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- JR9CE63FPM
- CAS number
- 872-50-4
- InChI Key
- SECXISVLQFMRJM-UHFFFAOYSA-N
- InChI
- InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
- IUPAC Name
- 1-methylpyrrolidin-2-one
- SMILES
- CN1CCCC1=O
References
- General References
- Not Available
- External Links
- KEGG Compound
- C11118
- PubChem Compound
- 13387
- PubChem Substance
- 347828750
- ChemSpider
- 12814
- BindingDB
- 50353587
- 1305552
- ChEBI
- 7307
- ChEMBL
- CHEMBL12543
- ZINC
- ZINC000003860621
- PDBe Ligand
- MB3
- PDB Entries
- 3mb3 / 3mb4 / 3rcw / 3uvd / 4a9f / 4qss / 5xdt / 6rvp / 6yd5 / 6yd6 … show 2 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Multiple Myeloma (MM) 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 853.0 mg/mL ALOGPS logP -0.72 ALOGPS logP -0.36 Chemaxon logS 0.93 ALOGPS pKa (Strongest Basic) -1.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 20.31 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 27.15 m3·mol-1 Chemaxon Polarizability 10.7 Å3 Chemaxon Number of Rings 1 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
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 113.3455392 predictedDarkChem Lite v0.1.0 [M-H]- 113.2761392 predictedDarkChem Lite v0.1.0 [M-H]- 113.3390392 predictedDarkChem Lite v0.1.0 [M-H]- 123.02356 predictedDeepCCS 1.0 (2019) [M+H]+ 113.7393392 predictedDarkChem Lite v0.1.0 [M+H]+ 113.7637392 predictedDarkChem Lite v0.1.0 [M+H]+ 114.0003392 predictedDarkChem Lite v0.1.0 [M+H]+ 125.203415 predictedDeepCCS 1.0 (2019) [M+Na]+ 113.7190392 predictedDarkChem Lite v0.1.0 [M+Na]+ 113.6246392 predictedDarkChem Lite v0.1.0 [M+Na]+ 113.7168392 predictedDarkChem Lite v0.1.0 [M+Na]+ 133.47797 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:41 / Updated at June 12, 2020 16:53