. Author manuscript; available in PMC: 2013 Oct 1.

Published in final edited form as: Mol Pharm. 2012 Aug 31;9(10):2912–2923. doi: 10.1021/mp300237z

Table 4.

ANN-QSAR predicted and experimentally validated hit compounds with CB₂ binding activities.

NSC ID	MW	ClogP	Predicted pKi	Experimental pKi
746843	400.55	6.61	8.66	8.81^*
49888	330.46	5.59	8.28	8.17^**
174122	463.52	4.76	8.41	5.59^***
369049	488.66	4.00	8.48	5.51^***
76301	354.44	3.99	8.21	5.42^***

An average literature reported Ki value of a known cannabinoid compound (HU210) which is more than 90% similar to 746843.

^**

An average Ki value of two independent experiments performed in duplicate.

^***

An experimental Ki value of one experiment performed in duplicate.