CHEMBL122819
SMILES | CCCCc1nc2[nH]cnc2c2nc(-c3ccc(OCC)cc3)nn12 |
InChIKey | JSVCNDDQYUWICG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 336.2 |
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 |
A2B | AA2BR | Human | Adenosine | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 9.05 | 9.05 | 9.05 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A2A | AA2AR | Human | Adenosine | A | pIC50 | 5.42 | 5.42 | 5.42 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pIC50 | 9.68 | 9.68 | 9.68 | ChEMBL |