CHEMBL1481561


SMILES COc1ccc(CCNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OC
InChIKey BJPFAUBYKPJOIX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 422.2

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
OX2 OX2R Human Orexin A pKi 6.05 6.07 6.1 ChEMBL
OX1 OX1R Human Orexin A pKi 4.88 5.03 5.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX2 OX2R Human Orexin A pIC50 6.3 6.3 6.3 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.7 4.7 4.7 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.8 4.8 4.8 ChEMBL
OX1 OX1R Human Orexin A pIC50 4.93 4.93 4.93 ChEMBL