SB-674042


SMILES Cc1sc(c(n1)C(=O)N1CCC[C@H]1Cc1nnc(o1)c1ccccc1)c1ccccc1F
InChIKey HYBZWVLPALMACV-KRWDZBQOSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 448.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 4ZJC

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 8.7 9.0 9.3 Guide to Pharmacology
OX2 OX2R Human Orexin A pKi 6.6850000000000005 6.69 6.69 Guide to Pharmacology
OX1 OX1R Human Orexin A pKd 8.29 8.29 8.29 ChEMBL
OX1 OX1R Human Orexin A pKi 8.41 8.78 8.96 ChEMBL
OX2 OX2R Human Orexin A pKi 6.89 6.89 6.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX2 OX2R Human Orexin A pKB 6.86 6.86 6.86 Guide to Pharmacology