CHEMBL1095487
SMILES | Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCCN3CCCCC3)ccc1C2=O |
InChIKey | XWPJRSCGRMWLPR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 400.2 |
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 | 7.45 | 7.45 | 7.45 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.71 | 6.71 | 6.71 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |