Target ID: CHEMBL3112384
Organism: Homo sapiens
Type: SINGLE PROTEIN
Name | SMILES | Bioactivity | Structure |
---|---|---|---|
CAFFEINE | Cn1c(=O)c2c(ncn2C)n(C)c1=O | Vdss: 0.61 L.kg-1 | ![]() |
THEOPHYLLINE | Cn1c(=O)c2[nH]cnc2n(C)c1=O | ED50: 18.5 mg.kg-1 | ![]() |
SMILES | Avg pKi | Count | Structure |
---|---|---|---|
O=c1[nH]c(=O)c2[nH]cnc2[nH]1 | None | 44 | ![]() |
Cn1c(=O)c2[nH]cnc2n(C)c1=O | None | 39 | ![]() |
Cn1c(=O)c2c(ncn2C)n(C)c1=O | None | 5 | ![]() |