SB-649868


SMILES Fc1ccc(cc1)c1sc(nc1C(=O)N1CCCC[C@H]1CNC(=O)c1cccc2c1cco2)C
InChIKey ZJXIUGNEAIHSBI-IBGZPJMESA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 477.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX2 OX2R Rat Orexin A pKi 10.11 10.11 10.11 ChEMBL
OX1 OX1R Rat Orexin A pKi 9.93 9.93 9.93 ChEMBL
OX2 OX2R Human Orexin A pKi 8.07 9.03 9.4 ChEMBL
OX1 OX1R Human Orexin A pKi 9.12 9.41 9.52 ChEMBL
OX1 OX1R Human Orexin A pKi 9.1 9.22 9.6 Guide to Pharmacology
OX2 OX2R Human Orexin A pKi 8.9 9.35 9.8 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKB 9.3 9.3 9.3 Guide to Pharmacology
OX2 OX2R Human Orexin A pKB 9.6 9.6 9.6 Guide to Pharmacology
OX1 OX1R Mouse Orexin A pKB 8.3 8.3 8.3 Guide to Pharmacology
OX1 OX1R Rat Orexin A pKB 10.0 10.0 10.0 Guide to Pharmacology
OX2 OX2R Rat Orexin A pKB 9.7 9.7 9.7 Guide to Pharmacology
OX2 OX2R Mouse Orexin A pKB 8.8 8.8 8.8 Guide to Pharmacology