8-cyclopentyltheophylline
8-cyclopentyltheophylline
| SMILES | Cn1c2nc([nH]c2c(=O)n(c1=O)C)C1CCCC1 |
| InChIKey | SCVHFRLUNIOSGI-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 1 |
| Molecular weight (Da) | 248.1 |
Database connections
| Ligand site mutations | A1 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
8-cyclopentyltheophylline
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Clinical Trials
Phase I
0
Phase II
0
Phase III
0
Approved
No
Database connections
| Ligand site mutations | A1 |