CHEMBL3655446
| SMILES | CC[C@H]1COC(c2ccc3c(C(=O)NCc4ccc(F)c(F)c4)c(C(C)C)n(Cc4ncco4)c3c2)=N1 |
| InChIKey | LAAZHLGGFBWCAQ-IBGZPJMESA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 506.2 |
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 | pIC50 | 6.55 | 6.55 | 6.55 | ChEMBL |