CHEMBL3133598
SMILES | CCCCc1ccc(Oc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2F)cc1 |
InChIKey | USJWJJGWOZWVDB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 12 |
Molecular weight (Da) | 441.2 |
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 |
S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.18 | 7.18 | 7.18 | ChEMBL |