CHEMBL123462
SMILES | CCCCc1nc2[nH]cnc2c2nc(-c3ccc(N(C)C)cc3)nn12 |
InChIKey | KYKFWXJBEABAMM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 335.2 |
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 |
A2B | AA2BR | Human | Adenosine | A | pKi | 5.18 | 5.18 | 5.18 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 8.9 | 8.9 | 8.9 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.31 | 7.31 | 7.31 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.88 | 5.88 | 5.88 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A3 | AA3R | Human | Adenosine | A | pIC50 | 9.17 | 9.17 | 9.17 | ChEMBL |