CHEMBL3121966
SMILES | Cc1cc(-c2noc(-c3sc(C)c(CC(C)C)c3C)n2)cc(C)c1OCC(O)CNC(=O)CO |
InChIKey | AXAPDELCHKZJAZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 10 |
Molecular weight (Da) | 487.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 9.3 | 9.3 | 9.3 | ChEMBL |
S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.13 | 7.13 | 7.13 | ChEMBL |