CHEMBL112098
SMILES | CCCn1c(=O)c2c(nc3cc(C(C)(C)C)ccn32)n(Cc2ccccc2)c1=O |
InChIKey | GWMULTMVYLNOQD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 390.2 |
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 | 6.02 | 6.02 | 6.02 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.84 | 5.84 | 5.84 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |