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 |