N-methyl-2-pyrrolidone

Ligand id: 9520

Name: N-methyl-2-pyrrolidone

Abbreviated name: NMP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 20.31
Molecular weight 99.07
XLogP -0.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-methylpyrrolidin-2-one
Synonyms
N-methyl-pyrrolidone
Comments
NMP is a common solvent and drug vehicle. More recently it has been identified as a candidate bromodomain ligand with antineoplastic and immunomodulatory activity [1]. Mechanistically it appears to be a low-affinity, broad-spectrum acetyllysine mimetic, but with apparent comparable ligand efficiency to that of larger rationally developed compounds such as (+)-JQ1 because of its very low molecular weight.
Database Links
BindingDB Ligand 50353587
GtoPdb PubChem SID 336446906
PubChem CID 13387
RCSB PDB Ligand MB3
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