caffeine


SMILES Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N

Chemical properties

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

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 3RFM 5MZP
Ligand site mutations A1 A2A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST2 SSR2 Human Somatostatin A pIC50 9.12 9.12 9.12 Guide to Pharmacology