Compound | R1 | R3 | R4 | R5 | EC50 | pKa | Log D |
---|---|---|---|---|---|---|---|
μM | |||||||
1a | OH | CH3 | Cl | 129 | 9.63 | 2.89 | |
1b | OH | CH3 | 10.07 | 1.94 | |||
1c | OH | Cl | 9.47 | 2.40 | |||
1d | CH3 | Cl | N.A. | 3.27 | |||
2a | NH2 | CH3 | Cl | 4.08 | 2.22 | ||
2b | Cl | CH3 | Cl | N.A. | 3.80 | ||
2c | OCH3 | CH3 | Cl | N.A. | 3.28 | ||
3a | OH | CF3 | Cl | 33.1 | 8.52 | 4.00 | |
3b | OH | CH2CH3 | Cl | 85.1 | 9.62 | 3.42 | |
3c | OH | Cl | Cl | 66.1 | 8.55 | 3.20 | |
3d | OH | OH | Cl | 10.22 | 1.60 | ||
4a | OH | CH3 | Br | 110 | 9.51 | 2.95 | |
4b | OH | CH3 | CH(CH3)2 | 44.7 | 10.36 | 3.30 | |
4c | OH | CH3 | CH3 | 10.38 | 2.40 | ||
4d | OH | CH3 | NO2 | 7.39 | N.D. | ||
4e | OH | CH3 | NH2 | 10.34 | 0.17 | ||
4f | OH | CH3 | OH | 11.96 | 1.10 | ||
5a | OH | CF3 | 323.6 | 8.96 | 2.90 | ||
5b | OH | CF3 | CF3 | 30.9 | 7.96 | 4.70 | |
6a | OH | CH(CH3)2 | 64.6 | 10.19 | 2.80 | ||
6b | OH | (CH2)4CO2CH2CH3 | 75.9 | 10.14 | 3.10 | ||
6c | OH | (CH2)4CO2H | 10.12 | -0.30 | |||
7a | OH | CH3 | Cl | CH3 | 63.1 | 9.76 | 3.30 |
7b | OH | CH3 | Br | CH3 | 42.7 | 9.64 | 3.40 |
7c | OH | CH3 | I | CH3 | 33.9 | 9.56 | 3.80 |
N.A., not applicable; N.D., not determined.