CHEMBL223451
SMILES | CCCNc1c(C(=O)OCCC)cnc2c1cnn2CC(Cl)c1ccccc1 |
InChIKey | WDOUIWVVHIIBTH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 400.2 |
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 |
A1 | AA1R | Human | Adenosine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 5.86 | 5.86 | 5.86 | ChEMBL |
A1 | AA1R | Bovine | Adenosine | A | pKi | 6.84 | 6.84 | 6.84 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |