CHEMBL1521989
| SMILES | COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OCc1ccccc1Cl |
| InChIKey | FYIWPEZHWMFQFF-XFXZXTDPSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 333.1 |
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 |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 6.14 | 6.14 | 6.14 | ChEMBL |
| GPR35 | GPR35 | Human | A orphans | A | pIC50 | 5.61 | 5.61 | 5.61 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.12 | 5.12 | 5.12 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |