CHEMBL3222110
SMILES | C[C@H]1CCC[C@@H](C)N1Cc1cc2c(N)nc(-c3cccc(C#N)c3)nc2s1 |
InChIKey | GJAXHPORTDEMDX-OKILXGFUSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 377.2 |
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 | 6.34 | 6.34 | 6.34 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.19 | 7.19 | 7.19 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |