CHEMBL4760845
SMILES | CC1(O)CCN(C(=O)Nc2nc3c(OCCF)ccc(N4CCOCC4)c3s2)CC1 |
InChIKey | FKAMJDQVNRCUNU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 438.2 |
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 |
A2A | AA2AR | Human | Adenosine | A | pKi | 6.44 | 6.44 | 6.44 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 5.18 | 5.18 | 5.18 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |