CHEMBL3426135


SMILES C[C@@H]1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)CN1C(=O)c1ccccc1-n1nccn1
InChIKey MMBLBOMQIGMVAC-GDBMZVCRSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 431.2

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 7.19 7.19 7.19 ChEMBL
OX2 OX2R Human Orexin A pKi 9.7 9.7 9.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 6.43 6.43 6.43 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.75 7.75 7.75 ChEMBL