caffeine



caffeine


SMILES Cn1c(=O)c2c(ncn2C)n(C)c1=O
InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 0
Molecular weight (Da) 194.1

Database connections

Structure pdb 3RFM 5MZP
Ligand site mutations A1 A2A

No bioactivity data available.

caffeine


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I
Phase II
Phase III
Phase IV

Database connections

Structure pdb 3RFM 5MZP
Ligand site mutations A1 A2A

Compound is not listed as a drug.