CHEMBL1361821
SMILES | CCOC(=O)COc1ccccc1/C=C\[N+](=O)[O-] |
InChIKey | AKHFFHDDAUYJKO-FPLPWBNLSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 251.1 |
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 | 6.02 | 6.02 | 6.02 | ChEMBL |
S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.47 | 5.47 | 5.47 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.1 | 5.1 | 5.1 | ChEMBL |