CHEMBL122345
SMILES | Nc1ncnc2c1ncn2C1OC(CO)[C@H](NC(=O)CCCCc2ccccc2)C1O |
InChIKey | UJEDGPKFDAGKNP-LYSMVYBYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 8 |
Molecular weight (Da) | 426.2 |
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 |
A2A | AA2AR | Rat | Adenosine | A | pKi | 5.33 | 5.33 | 5.33 | ChEMBL |
A1 | AA1R | Rat | Adenosine | A | pKi | 5.11 | 5.18 | 5.24 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |