CHEMBL518364
SMILES | CCc1cc(Cn2nnc3c(-c4ccco4)nc(N)nc32)ccc1N |
InChIKey | MPVLIBBHCAVTJX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 335.1 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.58 | 7.58 | 7.58 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 6.93 | 6.93 | 6.93 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |