CHEMBL3426144


SMILES COc1ccnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c1
InChIKey ISAMJDYFGZTWHZ-NVXWUHKLSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 393.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 6.85 6.85 6.85 ChEMBL
OX2 OX2R Human Orexin A pKi 8.89 8.89 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 6.21 6.21 6.21 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.89 7.89 7.89 ChEMBL