Ligand Data
Ligand
| Name | CHEMBL1451470 |
| SMILES | O=C(NCc1cccnc1)/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)S(=O)(=O)c1ccccc1 |
| InChIKey | RCFYSZPTSHODKC-ZVHZXABRSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight | 512.0 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| S1P4 | S1PR4 | Human | Lysophospholipid (S1P) | A (Rhodopsin) | 965 | 965 | 965 | |||
| GPR55 | GPR55 | Human | GPR18, GPR55 and GPR119 | A (Rhodopsin) | 1609 | 1609 | 1609 | |||
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A (Rhodopsin) | 8814 | 8814 | 8814 | |||