caffeine

Ligand id: 407

Name: caffeine

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: caffeine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 61.82
Molecular weight 194.08
XLogP 1.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (FDA (no history prior to 1999), EMA (2009))
IUPAC Name
1,3,7-trimethylpurine-2,6-dione
Synonyms
Peyona®
Comments
Caffeine is a central nervous system stimulant that causes increased alertness and agitation.
Database Links
BindingDB Ligand 10849
BitterDB Ligand 46
CAS Registry No. 58-08-2
ChEBI CHEBI:27732
ChEMBL Ligand CHEMBL113
DrugBank Ligand DB00201
GtoPdb PubChem SID 135652675
PubChem CID 2519
RCSB PDB Ligand CFF
Search Google for chemical match using the InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RYYVLZVUVIJVGH
Search UniChem for chemical match using the InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RYYVLZVUVIJVGH
SynPHARM 1495 (in complex with A2A receptor)
Wikipedia Caffeine

Product suppliers

View disclaimer

Tocris
Caffeine
Cat. No. 2793
Купить Виагра супер актив

https://pills24.com.ua

https://vanco.com.ua