CHEMBL400782
SMILES | C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N[C@@H]3CCOC3)nc(Cl)nc21 |
InChIKey | PKAKDOUFCOQHOJ-RAPCHXAISA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 385.1 |
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 |
A1 | AA1R | Bovine | Adenosine | A | pKi | 7.89 | 7.89 | 7.89 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 5.35 | 5.35 | 5.35 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.81 | 7.81 | 7.81 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 4.72 | 4.72 | 4.72 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |