fingolimod
SMILES | CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N |
InChIKey | KKGQTZUTZRNORY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 12 |
Molecular weight (Da) | 307.3 |
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 |
CCR2 | CCR2 | Human | Chemokine | A | pKd | 9.32 | 9.32 | 9.32 | ChEMBL |
CCR2 | CCR2 | Human | Chemokine | A | pKi | 9.26 | 9.26 | 9.26 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |