CHEMBL3642145


SMILES C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccsc1-c1ncccn1
InChIKey XNCRERPJAUJAFZ-GDBMZVCRSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 405.1

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 8.68 8.68 8.68 ChEMBL
OX1 OX1R Human Orexin A pKi 5.9 5.9 5.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Rat Orexin A pIC50 5.17 5.17 5.17 ChEMBL
OX2 OX2R Rat Orexin A pIC50 7.36 7.36 7.36 ChEMBL