CHEMBL16894
SMILES | CCCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1 |
InChIKey | NSGXVWJIQHDYOE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 297.1 |
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 | Rat | Adenosine | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.85 | 7.85 | 7.85 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 8.8 | 8.8 | 8.8 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 7.28 | 7.28 | 7.28 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
A2A | AA2AR | Rat | Adenosine | A | pKi | 8.62 | 8.62 | 8.62 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |