Table I.
2-AMT Analogs Synthesized and Tested For Potency With Calculated Parameters
| Compd | Structure | EC50 (μM)a | MW | tPSAb | xlogP | HBA/HBDc |
|---|---|---|---|---|---|---|
| IND2 |
|
1.66 | 297.4 | 47.0 | 4.41 | 4/1 |
| IND7 |
|
1.00 | 268.3 | 50.7 | 3.05 | 4/1 |
| IND22 |
|
1.46 | 307.4 | 51.3 | 5.17 | 4/1 |
| IND24 |
|
1.27 | 343.4 | 37.8 | 6.27 | 3/1 |
| IND26 |
|
>10.0 | 351.4 | 47.0 | 5.81 | 4/1 |
| IND29 |
|
1.57 | 268.3 | 50.7 | 3.13 | 4/1 |
| IND33 |
|
0.94 | 334.4 | 64.1 | 4.29 | 5/1 |
| IND36 |
|
>32.0 | 348.4 | 64.1 | 4.57 | 5/1 |
| IND38 |
|
2.29 | 292.4 | 61.6 | 4.16 | 4/1 |
| IND42 |
|
1.00 | 327.4 | 56.3 | 4.37 | 5/1 |
| IND43 |
|
2.53 | 381.4 | 56.3 | 5.08 | 5/1 |
| IND44 |
|
0.99 | 343.4 | 65.5 | 4.05 | 6/1 |
| IND46 |
|
0.11 | 363.4 | 56.3 | 5.38 | 5/1 |
| IND47 |
|
0.43 | 363.4 | 56.3 | 5.51 | 5/1 |
| IND48 |
|
>10.0 | 283.4 | 58.0 | 4.07 | 4/2 |
| IND49 |
|
>10.0 | 283.4 | 58.0 | 4.07 | 4/2 |
| IND52 |
|
4.95 | 268.3 | 50.7 | 3.13 | 4/1 |
| IND57 |
|
>10 | 325.4 | 56.3 | 3.95 | 5/1 |
| IND64 |
|
0.85 | 368.8 | 64.1 | 4.91 | 5/1 |
| IND74 |
|
3.13 | 327.4 | 56.3 | 4.37 | 5/1 |
| IND76 |
|
1.23 | 350.5 | 50.7 | 4.83 | 4/1 |
| IND78 |
|
>32.0 | 351.4 | 47.0 | 5.81 | 4/1 |
| IND81 |
|
1.95 | 350.5 | 50.7 | 4.83 | 4/1 |
| IND82 |
|
15.6 | 314.4 | 69.2 | 2.78 | 6/1 |
| IND85 |
|
0.31 | 304.4 | 50.7 | 4.14 | 4/1 |
| IND86 |
|
0.34 | 333.4 | 47.0 | 5.41 | 4/1 |
| IND91 |
|
0.92 | 343.4 | 51.3 | 6.25 | 4/1 |
| Compd B |
|
0.25 | 264.3 | 63.6 | 2.62 | 5/1 |
a
EC50 values usually based on n = 3 or more
b
tPSA = total polar surface area relating to N and O atoms (TPSA_NO) as calculated in Vortex v2011, Dotmatics Limited
c
HBA = H-bond acceptor; HBD = H-bond donor