1.
Basic properties
Alternative names
MM00048
Theophylline
1,3-dimethyl-7H-purine-2,6-dione
Theophylline
Molecular weight
180.17 Da
LogP
-1.04
2.
2D/3D Structure
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3.
Identifiers
SMILES
Cn1c(=O)c2[nH]cnc2n(C)c1=O
InchiKey
ZFXYFBGIUFBOJW-UHFFFAOYSA-N
ChEBI
28177
ChEMBL
CHEMBL190
PDB
TEP
Pubchem
2153
Drugbank
DB00277
4.
Related entries
Forms and parent
Similar entries
Tanimoto similarity of at least 0.85.
Behavior on membranes (passive interactions)
Filters
Membranes
Only membranes with available interactions are shown
Methods
Total: 0
| Membrane | Method | Charge | T [°C] | Primary reference | Secondary reference |
|---|---|---|---|---|---|
| No data... | |||||
6.
Interactions with proteins (active interactions)
Total: 0
| Protein | Charge | T [°C] | Primary reference | Secondary reference |
|---|---|---|---|---|
| No data... | ||||