CHEMBL117715
| SMILES | CCCCCCCCOc1c(Cl)cc(CNCCCP(=O)(O)O)cc1OC |
| InChIKey | GBAYNJCGVHFQTM-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 15 |
| Molecular weight (Da) | 421.2 |
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 |
| LPA2 | LPAR2 | Human | Lysophospholipid (LPA) | A | pIC50 | 7.24 | 7.24 | 7.24 | ChEMBL |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 8.1 | 8.1 | 8.1 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pIC50 | 6.21 | 6.21 | 6.21 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 8.62 | 8.62 | 8.62 | ChEMBL |