CHEMBL606630
SMILES | CNc1ncnc2c1ncn2[C@@H]1S[C@H](C(=O)NC2CCC2)[C@@H](O)[C@H]1O |
InChIKey | OWZJSHUHYXQQIH-BQVMBELUSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 364.1 |
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 | 8.98 | 8.98 | 8.98 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.97 | 6.97 | 6.97 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |