CHEMBL3955131
| SMILES | Fc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)c(F)c1 |
| InChIKey | IEHOOLMQRMNLOQ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 368.2 |
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 |
| S1P3 | S1PR3 | Human | Lysophospholipid (S1P) | A | pEC50 | 5.92 | 5.92 | 5.92 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pIC50 | 7.6 | 7.6 | 7.6 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 6.13 | 6.13 | 6.13 | ChEMBL |