danirixin
SMILES | O=C(Nc1cccc(c1C)F)Nc1ccc(c(c1O)S(=O)(=O)[C@H]1CCCNC1)Cl |
InChIKey | NGYNBSHYFOFVLS-LBPRGKRZSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 441.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Human | Adenosine | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
A2A | AA2AR | Human | Adenosine | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |