CHEMBL227371
| SMILES | CCCCCCCCc1ccc(NC(=O)[C@H](N)COP(=O)(O)O)cc1 |
| InChIKey | MYSPJHRAIVKWQS-MRXNPFEDSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 372.2 |
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 |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pKi | 6.52 | 6.52 | 6.52 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.32 | 6.8 | 7.28 | ChEMBL |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.3 | 6.61 | 6.92 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.35 | 6.35 | 6.35 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.24 | 7.24 | 7.24 | ChEMBL |