CHEMBL3222070
SMILES | CCc1ccc(-c2nc(N)c3cc(CN4[C@@H](C)CCC[C@H]4C)sc3n2)o1 |
InChIKey | XEUKFUARDJGJMN-BETUJISGSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 370.2 |
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 |
A1 | AA1R | Human | Adenosine | A | pKi | 6.72 | 6.72 | 6.72 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |