CHEMBL4094071


SMILES COc1ccc2c3c1O[C@H]1[C@H](N(C)C(=O)/C=C/c4ccoc4)CC[C@@]4(O)[C@@H](C2)N(C(=O)c2ccc(C)cc2)CC[C@]314
InChIKey JZBIIZUKJFXAPU-PZXNYLMJSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 554.2

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 7.85 7.85 7.85 ChEMBL
OX2 OX2R Human Orexin A pKi 6.14 6.14 6.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database