CHEMBL3260835


SMILES Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc(N)c4c(C)csc4n3)CC[C@H]2C)c1
InChIKey LLMHHQJUBHBUPE-MRXNPFEDSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 462.2

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 9.52 9.52 9.52 ChEMBL
OX2 OX2R Human Orexin A pKi 9.52 9.52 9.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 7.28 7.28 7.28 ChEMBL
OX2 OX2R Human Orexin A pIC50 7.37 7.37 7.37 ChEMBL