CHEMBL4548914


SMILES Cc1cccc2c1[nH]c1nc(N/N=C\c3c4ccccc4cc4ccccc34)nnc12
InChIKey BDUKBHXDUOFMQX-WGARJPEWSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 402.2

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 4.79 5.38 5.96 ChEMBL
OX2 OX2R Human Orexin A pKi 4.96 5.68 6.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.72 5.72 5.72 ChEMBL
OX2 OX2R Human Orexin A pIC50 6.52 6.52 6.52 ChEMBL