CHEMBL1362503
SMILES | CCOC(=O)C(=Cc1ccc(Br)cc1)C(=O)OCC |
InChIKey | AFYSUDAWCPZFEQ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 326.0 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
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 | 6.05 | 6.21 | 6.38 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.01 | 5.01 | 5.01 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |