CHEMBL4071046


SMILES COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-c2ccncc2)n1
InChIKey DDQFSNGVSUTALS-OXQOHEQNSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 443.2

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 5.24 5.24 5.24 ChEMBL
OX2 OX2R Human Orexin A pKi 8.05 8.05 8.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX2 OX2R Human Orexin A pIC50 7.19 7.19 7.19 ChEMBL