CHEMBL2151262
SMILES | C[C@@H](Sc1ccccc1)C(=O)Nc1nc(-c2ccccc2)n[nH]1 |
InChIKey | SIEKMMVTGNLKTQ-GFCCVEGCSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 324.1 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.66 | 5.66 | 5.66 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.48 | 5.48 | 5.48 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |