CHEMBL4093489
| SMILES | CCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1 |
| InChIKey | QDDQIPUKAXBMBX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 435.2 |
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 |
| S1P1 | S1PR1 | Rat | Lysophospholipid (S1P) | A | pKi | 9.11 | 9.11 | 9.11 | ChEMBL |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pKi | 9.24 | 9.24 | 9.24 | ChEMBL |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A | pKi | 7.54 | 7.54 | 7.54 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pKi | 9.2 | 9.2 | 9.2 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| S1P1 | S1PR1 | Rat | Lysophospholipid (S1P) | A | pEC50 | 10.54 | 10.54 | 10.54 | ChEMBL |
| S1P5 | S1PR5 | Human | Lysophospholipid (S1P) | A | pEC50 | 9.48 | 9.48 | 9.48 | ChEMBL |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A | pEC50 | 9.0 | 9.79 | 10.57 | ChEMBL |