8-cyclopentyltheophylline
8-cyclopentyltheophylline
| SMILES | Cn1c(=O)c2[nH]c(C3CCCC3)nc2n(C)c1=O |
| 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 |
No bioactivity data available.
8-cyclopentyltheophylline
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
Phase II
Phase III
Phase IV
Database connections
| Ligand site mutations | A1 |