CHEMBL3410300
SMILES | CCOC(=O)c1nc(N)nc2nn(CC(C)(C)C)cc12 |
InChIKey | XHQGCSWKZBZAKF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 277.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pKi | 4.98 | 4.98 | 4.98 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.3 | 5.3 | 5.3 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.4 | 5.4 | 5.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |