CHEMBL2113046
SMILES | c1ccc(Nc2nc(NC3CC4CCC3C4)c3nc[nH]c3n2)cc1 |
InChIKey | SLLSODGWHDUMRG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 320.2 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 7.43 | 7.43 | 7.43 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.11 | 5.11 | 5.11 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.65 | 5.65 | 5.65 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |