In vitro measurement | In silico properties | In vivo PET data analysis | Biomathematical model prediction | ||||||||||||
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Compound | Target | ROI | fP | fND | Bmax | KD or Ki | clogD | Vx | K1 | k2 | BPND | K1 | k2 | BPND | %COV[BPND] |
11C-GSK224558 | 5-HT6 | Striatum | 0.123 | 0.014 | 21.50 (19) | 0.50 | 3.40 | 2.98 | 0.40 | 0.04 | 0.52 | 0.39 | 0.05 | 0.58 | 3.55% |
11C-GSK215083 | 5-HT6 | Striatum | 0.288 | 0.039 | 21.50 (19) | 1.59 | 2.90 | 2.75 | 0.70 | 0.06 | 1.05 | 0.51 | 0.08 | 0.53 | 3.06% |
11C-GSK00000A | 5-HT6 | Striatum | 0.268 | 0.040 | 21.50 (19) | 0.49 | 1.00 | 2.79 | 0.01 | NQ | NQ | 0.37 | 0.06 | 1.76 | 2.33% |
11C-GSK00000B | 5-HT6 | Striatum | 0.010 | 0.004 | 21.50 (19) | 6.92 | 4.60 | 3.24 | 0.16 | 0.04 | 0.00 | 0.13 | 0.06 | 0.01 | >100% |
11C-GSK00000C | 5-HT6 | Striatum | 0.093 | 0.004 | 21.50 (19) | 0.63 | 1.40 | 2.75 | 0.31 | NQ | NQ | 0.46 | 0.02 | 0.14 | 16.87% |
11C-GSK00000D | NK1 | Striatum | 0.004 | 0.001 | 35.70 (20) | 0.56 | 3.80 | 3.35 | 0.16 | 0.08 | 0.35 | 0.27 | 0.06 | 0.06 | 27.73% |
11C- GSK00000E | NK1 | Striatum | 0.010 | 0.001 | 35.70 (20) | 0.11 | 4.00 | 3.90 | 0.09 | 0.03 | 2.93 | 0.21 | 0.02 | 0.32 | 12.32% |
11C-GR205171 | NK1 | Striatum | 0.299 | 0.065 | 35.70 (20) | 0.01 | 0.90 | 3.00 | 0.32 | 0.04 | 21.7 | 0.32 | 0.08 | 232 | >100% |
11C-GSK00000F | NK1 | Striatum | 0.026 | 0.001 | 35.70 (20) | 0.79 | 2.20 | 3.06 | 0.33 | 0.05 | 0.50 | 0.52 | 0.02 | 0.05 | 34.09% |
18F-GSK00000G | NK1 | Striatum | 0.027 | 0.011 | 35.70 (20) | 1995 | 4.90 | 3.52 | 0.00 | NQ | NQ | 0.08 | 0.03 | 0.00 | >100% |
11C-GSK00000H | NK1 | Striatum | 0.059 | 0.010 | 35.70 (20) | 0.50 | 3.90 | 3.49 | 0.22 | 0.03 | 1.30 | 0.24 | 0.04 | 0.70 | 4.37% |
11C-GSK00000I | NK1 | Striatum | 0.013 | 0.001 | 35.70 (20) | 0.14 | 3.90 | 3.49 | 0.35 | 0.04 | 0.49 | 0.24 | 0.03 | 0.35 | 7.67% |
11C-GSK00000J | NK1 | Striatum | 0.073 | 0.003 | 35.70 (20) | 0.96 | 3.60 | 3.34 | 0.36 | 0.02 | 0.89 | 0.32 | 0.01 | 0.11 | >100% |
11C-R-(−)-rolipram | PDE4 | Frontal ctx | 0.258 | 0.192 | 20.60* (18) | 1.76* (16) | 1.40 | 2.14 | 0.45 | 0.26 | 5.33 | 0.55 | 0.45 | 2.25 | 2.30% |
11C-S-(+)-rolipram | PDE4 | Frontal ctx | 0.300 | 0.194 | 20.60* (18) | 12.4* (16) | 1.40 | 2.14 | 0.20 | 0.07 | 0.75 | 0.55 | 0.39 | 0.32 | 6.95% |
11C-GSK00000K | D3 | Pallidum | 0.327 | 0.147 | 3.16† (25) | 5.37 | 2.20 | 2.57 | 0.72 | 0.13 | 0.26 | 0.58 | 0.29 | 0.09 | 18.11% |
11C-flumazenil | BDZ | Frontal ctx | 0.630 | 0.553 | 70.00 (22) | 2.20 | 0.90 | 2.09 | 0.48 | 0.43 | 5.96 | 0.43 | 0.41 | 17.6 | 2.02% |
11C-GSK00000L | CRF1 | Striatum | 0.036 | 0.012 | 17.05 (24) | 64.6 | 0.90 | 2.99 | 0.67 | 0.08 | NQ | 0.32 | 0.12 | 0.00 | >100% |
11C-NMSP | D2 | Striatum | 0.158 | 0.048 | 13.00 (21) | 0.22‡ (14) | 1.00 | 3.15 | 0.44 | 0.13 | 15.4 | 0.33 | 0.11 | 2.86 | 1.93% |
11C-NMSP | D2 | Thalamus | 0.158 | 0.048 | 0.91 (23) | 0.22‡ (14) | 1.00 | 3.15 | 0.32 | 0.09 | 0.45 | 0.33 | 0.11 | 0.20 | 8.09% |
11C-FLB-457 | D2 | Striatum | 0.476 | 0.211 | 13.00 (21) | 0.02* (15) | 0.80 | 2.52 | 0.68 | 0.22 | 9.29 | 0.34 | 0.17 | 137 | 27.75% |
11C-FLB-457 | D2 | Thalamus | 0.476 | 0.211 | 0.91 (23) | 0.02* (15) | 0.80 | 2.52 | 0.66 | 0.21 | 0.87 | 0.34 | 0.17 | 9.62 | 2.23% |
11C-raclopride | D2 | Striatum | 0.151 | 0.134 | 13.00 (21) | 0.85 (14) | 1.60 | 2.45 | 0.46 | 0.41 | 1.88 | 0.54 | 0.52 | 2.05 | 2.55% |
11C-raclopride | D2 | Thalamus | 0.151 | 0.134 | 0.91 (23) | 0.85 (14) | 1.60 | 2.45 | 0.45 | 0.40 | 0.40 | 0.54 | 0.52 | 0.14 | 15.80% |
11C-GSK00000M | GlyT1 | Ctx | 0.009 | 0.101 | 50.00 | 3.09 | 2.70 | 3.21 | 0.02 | 0.03 | 0.56 | 0.48 | 5.75 | 1.63 | 8.69% |
11C-GSK931145 | GlyT1 | Ctx | 0.279 | 0.100 | 50.00 | 1.51 | 3.80 | 2.98 | 0.07 | 0.07 | 0.62 | 0.30 | 0.12 | 3.31 | 2.11% |
11C-GSK00000N | GlyT1 | Ctx | 0.024 | 0.041 | 50.00 | 5.75 | 4.70 | 3.29 | 0.03 | 0.02 | 0.00 | 0.11 | 0.20 | 0.44 | 9.31% |
11C-GSK00000O | GlyT1 | Ctx | 0.129 | 0.016 | 50.00 | 1.05 | 3.60 | 2.87 | 0.19 | 0.03 | 0.07 | 0.36 | 0.05 | 0.76 | 2.93% |
11C-PK11195 | PBZR | Frontal ctx | 0.066 | 0.022 | 32.20 (37) | 4.30 | 4.60 | 2.74 | 0.33 | 0.05 | 0.55 | 0.14 | 0.05 | 0.17 | 13.34% |
11C-GSK00000P | 5-HT2C | Frontal ctx | 0.067 | 0.009 | 3.70§ (17) | 0.31 | 1.90 | 3.55 | 0.08 | 0.03 | 0.28 | 0.45 | 0.07 | 0.11 | 10.60% |
11C-GSK00000Q | 5-HT2C | Frontal ctx | 0.138 | 0.010 | 3.70§ (17) | 0.83 | 1.90 | 3.65 | 0.09 | 0.01 | 0.65 | 0.44 | 0.04 | 0.05 | 24.53% |
↵* Measured in rat.
↵† Measured using autoradiography.
↵‡ Measured at 37°C.
↵§ Measured in rabbit.
fP and fND were measured in Yorkshire/Danish Landrace pig using equilibrium dialysis. Bmax, KD, or Ki were measured by homogenate binding assays at room temperature in human tissue unless otherwise noted below. NQ denotes nonquantifiable in vivo estimate. Units for Bmax, KD, and Ki are nM; unit for Vx is cm3mol−1/100; units for K1 and k2 are mL/cm3/min and min−1, respectively; fP, fND, clogD, and BPND are unitless. Numbers in parentheses are references. ROI = region of interest; Ctx = cortex.