CHEMBL4755619
SMILES | Nc1nc(-c2ccc(NC(=O)c3ccc(C(=O)NO)cc3)cc2)cn2c(=O)n(-c3ccccc3)nc12 |
InChIKey | ARIKPPKBPXIUMQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 5 |
Molecular weight (Da) | 481.2 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 6.26 | 6.26 | 6.26 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.44 | 7.44 | 7.44 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |