CHEMBL3311348
SMILES | Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)COP(=O)(O)O)c(C)c2)cc1 |
InChIKey | GBGZYTCLRMLGKW-HSZRJFAPSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 12 |
Molecular weight (Da) | 449.2 |
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 | 6.75 | 6.75 | 6.75 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.52 | 8.52 | 8.52 | ChEMBL |