Table 1.
Training set compounds that generated common feature pharmacophore models
| No. | Namea (abbreviation) |
Activityb | Reference |
|---|---|---|---|
| 1 | CITCOc | EC50 = 49 nM | J. Bio. Chem. 2003. 278, 17277-17283 |
| 2 | Clotrimazole (CLZ) | 4.34 | J. Med. Chem. 2008, 51, 7181–7192 |
| 3 | PK11195d | deactivator | Mol Pharmacol. 2008, 74:443–453 |
| 4 | Triphenyl phosphate (TPP) |
3.96 | J. Med. Chem. 2008, 51, 7181–7192 |
| 5 | CAR-1 | 6.35 | J. Med. Chem. 2008, 51, 7181–7192 |
| 6 | CAR-17 | 7.92 | J. Med. Chem. 2008, 51, 7181–7192 |
| 7 | CAR-18 | 5.22 | J. Med. Chem. 2008, 51, 7181–7192 |
| 8 | CAR-19 | 4.47 | J. Med. Chem. 2008, 51, 7181–7192 |
| 9 | CAR-2 | 5.5 | J. Med. Chem. 2008, 51, 7181–7192 |
| 10 | CAR-20 | 4.09 | J. Med. Chem. 2008, 51, 7181–7192 |
| 11 | CAR-3 | 4.88 | J. Med. Chem. 2008, 51, 7181–7192 |
| 12 | CAR-4 | 4.17 | J. Med. Chem. 2008, 51, 7181–7192 |
| 13 | CAR-5 | 3.87 | J. Med. Chem. 2008, 51, 7181–7192 |
| 14 | CAR-6 | 3.8 | J. Med. Chem. 2008, 51, 7181–7192 |
| 15 | CAR-7 | 3.28 | J. Med. Chem. 2008, 51, 7181–7192 |
| 16 | CAR-8 | 2.95 | J. Med. Chem. 2008, 51, 7181–7192 |
| 17 | CAR-9 | 2.7 | J. Med. Chem. 2008, 51, 7181–7192 |
a
Compounds with names starting with “CAR” are from reference (Jyrkkarinne et al., 2008). The number following “CAR” is the compound ID number shown in the paper.
b
Except CITCO and PK11195, the values indicate increased folds over vehicle control of CAR activation at 10 μM of each compound.
c
6-(4-chlorophenyl)imidazo [2,1-b][1,3] thiazole-5-carbaldehyde-O-(3,4-dichlorobenzyl)oxime (CITCO).
d
1-(2-chlorophenyl-N-methylpropyl)-3-isoquinolinecarboxamide (PK11195).