AFD(R)
| SMILES | CCCCCCCOc1ccc(cc1)CC[C@](COP(=O)(O)O)(N)C |
| InChIKey | NMRLBSIYIBOLLJ-GOSISDBHSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 373.2 |
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 |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.4 | 8.6 | 8.8 | Guide to Pharmacology |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.8 | 8.6 | 9.4 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.0 | 8.85 | 9.7 | Guide to Pharmacology |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 9.1 | 9.1 | 9.1 | ChEMBL |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.2 | 8.2 | 8.2 | ChEMBL |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.9 | 8.9 | 8.9 | ChEMBL |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.3 | 8.35 | 8.4 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 8.7 | 8.7 | 8.7 | ChEMBL |