CHEMBL4098119


SMILES Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(Br)nc2-n2nccn2)C1
InChIKey KBPPQZHPJZSYAJ-CZUORRHYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 481.1

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
OX1 OX1R Human Orexin A pKi 5.78 5.78 5.78 ChEMBL
OX2 OX2R Human Orexin A pKi 8.29 8.29 8.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX2 OX2R Human Orexin A pIC50 7.54 7.54 7.54 ChEMBL