CHEMBL4094742


SMILES CCOc1ccccc1C(=O)N1C[C@H](Oc2nccc(C#N)c2C)CC[C@H]1C
InChIKey JPIWUEFZXNEMEU-CRAIPNDOSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 379.2

Drug properties

Molecular type Small molecule
Endogenous/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 6.23 6.23 6.23 ChEMBL
OX2 OX2R Human Orexin A pKi 9.15 9.15 9.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 5.68 5.68 5.68 ChEMBL
OX2 OX2R Human Orexin A pIC50 8.22 8.22 8.22 ChEMBL