VPC44116
| SMILES | CCCCCCCCc1cccc(c1)NC(=O)[C@@H](CCP(=O)(O)O)N |
| InChIKey | FMLHSOGKNHADEE-QGZVFWFLSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 370.2 |
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 |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pKi | 8.52 | 8.52 | 8.52 | Guide to Pharmacology |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pKi | 6.52 | 6.52 | 6.52 | Guide to Pharmacology |
| 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 |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.57 | 7.57 | 7.57 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 7.48 | 7.48 | 7.48 | ChEMBL |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.21 | 5.21 | 5.21 | ChEMBL |