CHEMBL2151127
SMILES | O=C(Nc1nc(-c2ccccc2)n[nH]1)C1CCCO1 |
InChIKey | YHMRHZJMVHSYBP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 258.1 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 5.51 | 5.51 | 5.51 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.23 | 5.23 | 5.23 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |