CHEMBL1547643
SMILES | O=C(/C=C/c1ccccc1)CC(O)(c1ccccc1)C(F)(F)C(F)F |
InChIKey | LRSCXAZTJXRCCO-VAWYXSNFSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 352.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.77 | 5.77 | 5.77 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 4.51 | 4.51 | 4.51 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.6 | 4.6 | 4.6 | ChEMBL |