CHEMBL2170794
SMILES | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(N[C@H](c3ccccc3)C3CC3)nc(Cl)nc21 |
InChIKey | NSOKXABWNKYUGW-NRNHGZALSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 5 |
Molecular weight (Da) | 411.1 |
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 | 5.66 | 5.66 | 5.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |