Ligand Data
Ligand
| Name | CHEMBL3894305 |
| SMILES | CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(-n3cncn3)c2)ncn1 |
| InChIKey | BSWLEIRBUPJETH-UHFFFAOYSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight | 377.2 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| S1P1 | S1PR1 | Human | Lysophospholipid (S1P) | A (Rhodopsin) | 79.0 | 79.0 | 79.0 | |||