Ligand Data

Ligand

id 41659
Name SCHEMBL2247250
SMILES CC1=CN=CC(=C1)C2=NC=C(C(=C2)C(=O)NCC3=NC(=C(C=C3)OC)OC)C4=CC(=CC=C4)F
InChIKey WLCJVFXNGJWJGY-UHFFFAOYSA-N
Type small molecule
External Links

Structure

Properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight 458.5


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
OX2 ox2r_human Human Orexin receptors Class A (Rhodopsin) 16.0 16.0 16.0
OX1 ox1r_human Human Orexin receptors Class A (Rhodopsin) 1950.0 1950.0 1950.0