CHEMBL97961
SMILES | NCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 |
InChIKey | RVMIIIKPFMQIGZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 356.1 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 8.12 | 8.12 | 8.12 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 7.05 | 7.05 | 7.05 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2B | AA2BR | Human | Adenosine | A | pIC50 | 4.88 | 4.88 | 4.88 | ChEMBL |