Ligand Data

Ligand

id 100277
Name CHEMBL3133598
SMILES CCCCC1=CC=C(C=C1)OC2=C(C=C(C=C2)CCC(CO)(COP(=O)(O)O)N)F
InChIKey USJWJJGWOZWVDB-UHFFFAOYSA-N
Type small molecule
External Links

Structure

Properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight 441.4


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
S1P1 s1pr1_human Human Lysophospholipid (S1P) receptors Class A (Rhodopsin) 66.3 66.3 66.3
S1P3 s1pr3_human Human Lysophospholipid (S1P) receptors Class A (Rhodopsin) 1790.0 1790.0 1790.0