Ligand Data

Ligand

id 131889
Name CHEMBL3691823
SMILES O=C(c1ccc(F)cc1-c1ncccn1)N1CC2CC(Oc3ccc(C(F)(F)F)cn3)C1C2
InChIKey AXZNZGVQOXKZLA-UHFFFAOYSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight 458.1


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
OX1 OX1R Rat Orexin A (Rhodopsin) 15.0 15.0 15.0
OX1 OX1R Human Orexin A (Rhodopsin) 15.0 15.0 15.0
OX2 OX2R Human Orexin A (Rhodopsin) 2100 2100 2100