CHEMBL594363
SMILES | Cc1ccc(-c2cc(C(=O)NCc3ncc[nH]3)nc(N)n2)o1 |
InChIKey | HHRCJSSFNCDUDD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 298.1 |
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 | 5.68 | 5.68 | 5.68 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.43 | 6.43 | 6.43 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |