![]() This anaesthetic has a single low-energy conformer. Surface View:
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Surface view shows the electrostatic potential of the structure mapped onto
the solvent excluded surface, based on a probe of radius 1.4Å.
Regions of negative potential are shown in red, positive in blue.
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In Vivo Activity Data | ||
Immobility: MAC Rat [Pa/PI Corrected] (atm) | 0.0064 (n=4) | Fang Z, Sonner J, Laster MJ, et al. Anesth Analg 1996;83:1097-104 |
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Immobility: MAC Rat (atm) | 0.0084 (n=4) | Fang Z, Sonner J, Laster MJ, et al. Anesth Analg 1996;83:1097-104 |
Convulsant: Rat ED50 (atm) | 0.0046 (n=2) | Fang Z, Sonner J, Laster MJ, et al. Anesth Analg 1996;83:1097-104 |
In Vitro Activity Data | ||
Human NR1 / NR2B NMDA Receptor IC50 (atm) | 0.0048 ± 0.0002 (n=3) | Raines DE, Gioia F, Claycomb RJ, Stevens RJ. J Pharmacol Exp Ther 2004;311:14-21 |
Human NR1 / NR2B NMDA Receptor Hill Coeff. | 1.5 ± 0.1 (n=3) | Raines DE, Gioia F, Claycomb RJ, Stevens RJ. J Pharmacol Exp Ther 2004;311:14-21 |
Human α4β2 nACh Receptor IC50 (atm) | 0.002 (n=3) | Solt K, Kelly EW, Cotten JF, Raines DE. Anesth Analg 2010;110:455-60 |
Physical Properties | ||
Saline / Gas Partition Coeff. at 37°C | 2.41 ± 0.1 | Fang Z, Sonner J, Laster MJ, et al. Anesth Analg 1996;83:1097-104 |
Olive Oil / Gas Partition Coeff. at 37°C | 654 ± 18 | Fang Z, Sonner J, Laster MJ, et al. Anesth Analg 1996;83:1097-104 |
Octanol / Gas Partition Coeff. at 37°C | 515 ± 15 | Fang Z, Sonner J, Laster MJ, et al. Anesth Analg 1996;83:1097-104 |
Blood / Gas Partition Coeff. at 37°C | 7.38 ± 0.81 (n=3) | Fang Z, Sonner J, Laster MJ, et al. Anesth Analg 1996;83:1097-104 |
Arterial / Inspired Partial Pressure (Pa/PI) | 0.755 ± 0.078 (n=3) | Fang Z, Sonner J, Laster MJ, et al. Anesth Analg 1996;83:1097-104 |
Calculated Molecular Properties | ||
van der Waals Volume | 98 Å3 | |
van der Waals Surface Area | 124 Å2 | |
Solvent Accessible Volume | 359 Å3 | (based on a 1.4Å probe) |
Solvent Accessible Surface Area | 265 Å2 | (based on a 1.4Å probe) |
Notes | ||
Convulsions in 2 of 9 subjects |
All values are mean ± SD, except
data labelled with † which are mean ± SEM.
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Database Version: 1.09.9 Last Updated: 21st February 2014
Database Version: 1.09.9 Last Updated: 21st February 2014