CHEMBL3763668
SMILES | C[C@H](NC(=O)c1nc(N)nc2c(F)cccc12)c1cccc2cccnc12 |
InChIKey | SBXPUBIKBOERFX-NSHDSACASA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 361.1 |
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 | 6.9 | 6.9 | 6.9 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |