Probe Reports from the NIH Molecular Libraries Program [Internet].
Bethesda (MD): National Center for Biotechnology Information (US); 2010-.
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Table 4SAR Analysis for rat M4 Positive Allosteric Modulators
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|---|---|---|---|---|---|---|---|---|---|
| Entry | CID | SID | VU Number | * | X | Y | Z | Rat M4 EC50 (μM) ** | Rat M4 ACh fold-shift *** |
| 1 | 45142469 | 92392513 | VU0152117 | S | dimethylamino | n-propyl | 4-methyoxybenzyl | > 10 | 1x |
| 2 | 45142470 | 92392514 | VU0152118 | S | dimethylamino | ethyl | 4-methyoxybenzyl | > 10 | - |
| 3 | 45142471 | 92392515 | VU0152119 | S | morpholino | ethyl | 4-methyoxybenzyl | 6.5 | 37x |
| 4 | 45142472 | 92392516 | VU0152120 | S | pyrrolidin-1-yl | ethyl | 4-methyoxybenzyl | 8.2 | 25x |
| 5 | 45142473 | 92392517 | VU0152121 | S | 1-methylpiperidin-3-yl | methylene | 4-methyoxybenzyl | > 10 | - |
| 6 | 45142474 | 92392518 | VU0152122 | S | - | n-propyl | 4-methyoxybenzyl | >10 | - |
| 7 | 45142475 | 92392519 | VU0152123 | S | - | i-propyl | 4-methyoxybenzyl | >10 | - |
| 8 | 45142476 | 92392523 | VU0152133 | S | - | n-pentyl | 4-methyoxybenzyl | >10 | - |
| 9 | 44626302 | 92392520 | VU0152129 | S | pyridin-4-yl | methylene | 4-methyoxybenzyl | 2.0 | 50x |
| 10 | 44626303 | 92392521 | VU0152130 | S | pyridin-3-yl | methylene | 4-methyoxybenzyl | 2.2 | 9x |
| 11 | 44626304 | 92392522 | VU0152131 | S | pyridin-2-yl | methylene | 4-methyoxybenzyl | 1.8 | 5x |
| 12 | 45142477 | 92392524 | VU0359439 | S | dimethylamino | n-propyl | oxetan-3-yl | 2.58 | 7x |
| 13 | 45142478 | 92392525 | VU0359451 | S | dimethylamino | n-propyl | 2,5-difluorobenzyl | 2.75 | 14x |
| 14 | 45142479 | 92392526 | VU0359453 | S | morpholino | ethyl | oxetan-3-yl | 7.42 | 40x |
| 15 | 45142480 | 92392527 | VU0359454 | S | morpholino | ethyl | 3-methoxypropyl | 6.25 | 67x |
| 16 | 45142489 | 92392537 | VU0359455 | S | morpholino | ethyl | phenyl | 5.81 | 51x |
| 17 | 45142482 | 92392529 | VU0359459 | S | morpholino | ethyl | i-propyl | 7.15 | 36x |
| 18 | 45142483 | 92392530 | VU0359460 | S | morpholino | ethyl | t-butyl | 8.73 | 62x |
| 19 | 45142484 | 92392531 | VU0359479 | S | pyridin-2-yl | methylene | 2,3-difluorobenzyl | 5.40 | 28x |
| 20 | 45142485 | 92392532 | VU0359480 | S | pyridin-2-yl | methylene | 2,5-difluorobenzyl | > 10 | 41x |
| 21 | 45142486 | 92392533 | VU0359508 | S | pyridin-4-yl | methylene | 2,3-difluorobenzyl | 2.44 | 44x |
| 22 | 45142487 | 92392534 | VU0359509 | S | pyridin-4-yl | methylene | 2,5-difluorobenzyl | 3.78 | 64x |
- *
S = synthesized, P = purchased.
- **
Data represent the mean values from at least 3 experiments with similar results [AID 2616].
- ***
Leftward shift of an ACh CRC in the presence of 30 μM compound relative to ACh CRC control [AID 449769].