CHEMBL2012684
SMILES | O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCC3CC3)nc(Cl)nc21 |
InChIKey | NFODXFUERKMFSF-FFVUVFKMSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 4 |
Molecular weight (Da) | 335.1 |
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 |
A1 | AA1R | Rat | Adenosine | A | pKi | 9.1 | 9.1 | 9.1 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 8.05 | 8.05 | 8.05 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.36 | 5.36 | 5.36 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 7.17 | 7.17 | 7.17 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |