Table 1

Training set substrates

SubstratesKmMetabolic PathwayReferences
μm
Amitriptyline144 N-Demethylation Ekins et al., 1999c
β-Arteether28 O-Deethylation Grace et al., 1998
Benzyloxyresorufin1.3 O-Debenzylation Ekins et al., 1998
4-Chloromethyl-7-ethoxycoumarin34 O-Deethylation Ekins et al., 1998
3-Cyano-7-ethoxycoumarin71 O-Deethylation Ekins et al., 1998
Dextromethorphan350 N-Demethylation Ekins et al., 1999c
Diazepam113 N-Demethylation Ono et al., 1996
1,2-Dibromoethane97002-Bromoacetaldehyde formation Wormhoudt et al., 1996
7-Ethoxycoumarin115 O-Deethylation Yamazaki et al., 1996
7-Ethoxy-4-trifluoromethylcoumarin1.7 O-Deethylation Ekins et al., 1997
Imipramine383 N-Demethylation Koyama et al., 1997
Midazolam461′-Hydroxylation Ekins et al., 1998
Propofol104-Hydroxylation Court et al., 2001
RP7340123Ring hydroxylation Stevens et al., 1997
S-Mephenytoin564 N-Demethylation Heyn et al., 1996
Testosterone5116β-Hydroxylation Ekins et al., 1998

The Km values were generated using CYP2B6 expressed in β-lymphoblastoid cells.