CHEMBL104998
SMILES | CC(=O)Nc1ccc(-c2cc(O)c3ccc(C)nc3n2)cc1 |
InChIKey | JYIITCYTXQXDCX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 293.1 |
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 |
A1 | AA1R | Bovine | Adenosine | A | pKi | 8.78 | 8.89 | 9.0 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.64 | 5.72 | 5.8 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.7 | 5.77 | 5.84 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |