CHEMBL457573
SMILES | CC(=O)Nc1cc(N2CCC[C@@H]2COc2ccccn2)nc(-n2nc(C)cc2C)n1 |
InChIKey | MDXHAAVALMQUQH-QGZVFWFLSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 407.2 |
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 |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.19 | 7.19 | 7.19 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |