TOFIMILAST
SMILES | CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccs3)nnc1-2 |
InChIKey | DHCOPPHTVOXDKU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 3 |
Molecular weight (Da) | 339.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pIC50 | 5.32 | 5.32 | 5.32 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pIC50 | 5.36 | 5.36 | 5.36 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pIC50 | 5.28 | 5.58 | 5.89 | ChEMBL |