CHEMBL164992
SMILES | COc1cccc(NC(=O)Nc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)c1 |
InChIKey | AQNRHHRYYOZUOC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 404.1 |
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 |
A1 | AA1R | Human | Adenosine | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.1 | 8.6 | 9.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pIC50 | 8.11 | 8.11 | 8.11 | ChEMBL |