CHEMBL81863
SMILES | Cc1[nH]c2nc(-c3ccccc3)nc(NCc3ccncc3)c2c1C |
InChIKey | GSAIXPLBVQLLNN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 329.2 |
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 |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.88 | 6.88 | 6.88 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Human | Adenosine | A | pIC50 | 5.7 | 5.73 | 5.77 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pIC50 | 6.58 | 6.62 | 6.65 | ChEMBL |