MK-0249

Ligand id: 7346

Name: MK-0249

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 32.78
Molecular weight 431.18
XLogP 5.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-methyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-5-(trifluoromethyl)quinazolin-4-one
Synonyms
MK 0249 | MK0249
Database Links
CAS Registry No. 1167574-41-5 (source: PubChem)
ChEMBL Ligand CHEMBL476323
PubChem CID 11697697
Search Google for chemical match using the InChIKey DDDZBLNULGDPGA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DDDZBLNULGDPGA
Search UniChem for chemical match using the InChIKey DDDZBLNULGDPGA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DDDZBLNULGDPGA
Wikipedia MK-0249
Comments
H3 receptor inverse agonists may be efficacious for central nervous system disorders, including excessive daytime sleepiness, attention deficit hyperactivity disorder, Alzheimer disease, ethanol addiction, and obesity [4].