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. Author manuscript; available in PMC: 2014 Apr 1.
Published in final edited form as: Pharm Res. 2013 Feb 16;30(4):932–950. doi: 10.1007/s11095-012-0912-4

Table I.

2-AMT Analogs Synthesized and Tested For Potency With Calculated Parameters

Compd Structure EC50 (μM)a MW tPSAb xlogP HBA/HBDc
IND2 graphic file with name nihms446883t1.jpg 1.66 297.4 47.0 4.41 4/1
IND7 graphic file with name nihms446883t2.jpg 1.00 268.3 50.7 3.05 4/1
IND22 graphic file with name nihms446883t3.jpg 1.46 307.4 51.3 5.17 4/1
IND24 graphic file with name nihms446883t4.jpg 1.27 343.4 37.8 6.27 3/1
IND26 graphic file with name nihms446883t5.jpg >10.0 351.4 47.0 5.81 4/1
IND29 graphic file with name nihms446883t6.jpg 1.57 268.3 50.7 3.13 4/1
IND33 graphic file with name nihms446883t7.jpg 0.94 334.4 64.1 4.29 5/1
IND36 graphic file with name nihms446883t8.jpg >32.0 348.4 64.1 4.57 5/1
IND38 graphic file with name nihms446883t9.jpg 2.29 292.4 61.6 4.16 4/1
IND42 graphic file with name nihms446883t10.jpg 1.00 327.4 56.3 4.37 5/1
IND43 graphic file with name nihms446883t11.jpg 2.53 381.4 56.3 5.08 5/1
IND44 graphic file with name nihms446883t12.jpg 0.99 343.4 65.5 4.05 6/1
IND46 graphic file with name nihms446883t13.jpg 0.11 363.4 56.3 5.38 5/1
IND47 graphic file with name nihms446883t14.jpg 0.43 363.4 56.3 5.51 5/1
IND48 graphic file with name nihms446883t15.jpg >10.0 283.4 58.0 4.07 4/2
IND49 graphic file with name nihms446883t16.jpg >10.0 283.4 58.0 4.07 4/2
IND52 graphic file with name nihms446883t17.jpg 4.95 268.3 50.7 3.13 4/1
IND57 graphic file with name nihms446883t18.jpg >10 325.4 56.3 3.95 5/1
IND64 graphic file with name nihms446883t19.jpg 0.85 368.8 64.1 4.91 5/1
IND74 graphic file with name nihms446883t20.jpg 3.13 327.4 56.3 4.37 5/1
IND76 graphic file with name nihms446883t21.jpg 1.23 350.5 50.7 4.83 4/1
IND78 graphic file with name nihms446883t22.jpg >32.0 351.4 47.0 5.81 4/1
IND81 graphic file with name nihms446883t23.jpg 1.95 350.5 50.7 4.83 4/1
IND82 graphic file with name nihms446883t24.jpg 15.6 314.4 69.2 2.78 6/1
IND85 graphic file with name nihms446883t25.jpg 0.31 304.4 50.7 4.14 4/1
IND86 graphic file with name nihms446883t26.jpg 0.34 333.4 47.0 5.41 4/1
IND91 graphic file with name nihms446883t27.jpg 0.92 343.4 51.3 6.25 4/1
Compd B graphic file with name nihms446883t28.jpg 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