CHEMBL3426138


SMILES COC(=O)c1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1
InChIKey YICJBMYJMAZRCL-NVXWUHKLSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 421.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 6.51 6.51 6.51 ChEMBL
OX2 OX2R Human Orexin A pKi 8.41 8.41 8.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.74 5.75 5.75 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.66 7.66 7.66 ChEMBL