CHEMBL117723
| SMILES | CCCCCCCCOc1c(Br)cc(CNCCCP(=O)(O)O)cc1OC |
| InChIKey | WECRLAZSZWCWDE-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 15 |
| Molecular weight (Da) | 465.1 |
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 |
| LPA2 | LPAR2 | Human | Lysophospholipid (LPA) | A | pIC50 | 7.1 | 7.1 | 7.1 | ChEMBL |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.1 | 7.1 | 7.1 | ChEMBL |
| S1P2 | S1PR2 | Human | Lysophospholipid (S1P) | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pIC50 | 5.68 | 5.68 | 5.68 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 8.39 | 8.39 | 8.39 | ChEMBL |