CHEMBL3394829


SMILES C[C@@H]1CC[C@@H](Oc2nccc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1
InChIKey AQKJXQYTVDPWOS-IEBWSBKVSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 413.2

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 7.98 7.98 7.98 ChEMBL
OX2 OX2R Human Orexin A pKi 9.52 9.74 9.96 ChEMBL
OX1 OX1R Rat Orexin A pKi 8.47 8.47 8.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 7.8 7.8 7.8 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.82 7.82 7.82 ChEMBL