theophylline
SMILES | Cn1c(=O)n(C)c2c(c1=O)[nH]cn2 |
InChIKey | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 0 |
Molecular weight (Da) | 180.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MAS1 | MAS | Mouse | A orphans | A | pKi | 7.31 | 7.31 | 7.31 | Guide to Pharmacology |
MAS1 | MAS | Mouse | A orphans | A | pKd | 9.08 | 9.08 | 9.08 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
AT2 | AGTR2 | Human | Angiotensin | A | pIC50 | 6.61 | 6.61 | 6.61 | Guide to Pharmacology |
MAS1 | MAS | Mouse | A orphans | A | pIC50 | 8.16 | 8.16 | 8.16 | Guide to Pharmacology |