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 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | A1 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Human | Cannabinoid | A | pKi | 8.94 | 8.94 | 8.94 | Guide to Pharmacology |
CB2 | CNR2 | Human | Cannabinoid | A | pKi | 8.5 | 8.5 | 8.5 | ChEMBL |
CB1 | CNR1 | Rat | Cannabinoid | A | pKi | 9.41 | 9.41 | 9.41 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB1 | CNR1 | Human | Cannabinoid | A | pEC50 | 8.24 | 8.24 | 8.24 | ChEMBL |
CB2 | CNR2 | Human | Cannabinoid | A | pEC50 | 8.26 | 8.26 | 8.26 | ChEMBL |