CHEMBL409682
SMILES | C[C@H](NC(=O)n1cnc2c(-c3ccco3)nc(N)nc21)c1ccccc1 |
InChIKey | NNZNWPJLQJFDKS-NSHDSACASA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 348.1 |
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 | 8.7 | 8.7 | 8.7 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.64 | 6.64 | 6.64 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |