PD81723
SMILES | Nc1sc(c(c1C(=O)c1cccc(c1)C(F)(F)F)C)C |
InChIKey | KKDKAWKYGCUOGR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 299.1 |
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 |
A1 | AA1R | Rat | Adenosine | A | pKi | 4.96 | 4.96 | 4.96 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKd | 8.74 | 8.94 | 9.12 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Rat | Adenosine | A | pEC50 | 4.83 | 4.83 | 4.83 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pEC50 | 4.87 | 5.27 | 5.77 | ChEMBL |