serlopitant
SMILES | O=C1CCC(=C1)N1C[C@@H]2[C@@H](C1)[C@@H]([C@H](CC2)O[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)c1ccc(cc1)F |
InChIKey | FLNYCRJBCNNHRH-OIYLJQICSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 555.2 |
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 |
A2B | AA2BR | Human | Adenosine | A | pKi | 4.96 | 4.96 | 4.96 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Bovine | Adenosine | A | pIC50 | 5.6 | 5.6 | 5.6 | ChEMBL |