Development and Validation of Quantitative Structure-Activity Relationship Models for Compounds Acting on Serotoninergic Receptors

Table 1

Known biological activity for compounds 1–20.

No.	Compound	p𝐾^ai	p𝐷^b2	p𝐴^c2
1	Tiapride	—	7.97	5.10
2	Clopenthixol	7.60	7.99	7.30
3	Flupentixol	7.00	7.88	6.90
4	Trifluoperazine	7.90	8.04	5.70
5	Clozapine	6.00	—	7.50
6	Risperidone	9.90	8.16	6.69
7	Olanzapine	8.10	8.10	7.20
8	Tropisetron	8.40	—	6.60
9	Cyproheptadine	8.22	—	8.73
10	Trazodone	7.40	—	8.79
11	Mianserin	9.70	8.09	7.50
12	Pizotifen	7.40	—	9.20
13	Mirtazapine	8.40	6.88	7.99
14	Buspirone	7.70	7.70	6.35
15	Sumatriptan	6.60	5.80	—
16	Rizatriptan	6.40	6.30	—
17	Zolmitriptan	6.60	6.20	—
18	Cisapride	7.40	7.60	7.30
19	Serotonin	6.40	—	—
20	Propranolol	7.50	—	6.08

^ap𝐾_i: 5-HT receptor binding affinity; ^bp𝐷₂: agonistic activity; ^cp𝐴₂: antagonistic activity.