CHEMBL3260834


SMILES Cc1cc2c(N)nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc2s1
InChIKey ZKAWQNXBSWWWNG-CQSZACIVSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 448.2

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 9.15 9.15 9.15 ChEMBL
OX2 OX2R Human Orexin A pKi 8.82 8.82 8.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 7.51 7.51 7.51 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.47 7.47 7.47 ChEMBL