CHEMBL442005
SMILES | Cc1cccc(-n2cc3c(n2)c(NC2CCCCC2)nc2ccccc23)c1 |
InChIKey | IQHJLENLTHRSPD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 356.2 |
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 | Bovine | Adenosine | A | pKi | 7.65 | 7.65 | 7.65 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 7.36 | 7.36 | 7.36 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 4.94 | 4.94 | 4.94 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |