Table 2.

Compliance of designed thieno[3,2-c]pyran analogues and standard drugs of computational parameters for pharmacokinetics (ADME).

Compounds	log Khsa for Serum Protein Binding	log BB for brain/blood	No. of metabolic reactions	Predicted CNS Activity	log HERG for K + Channel Blockage	Apparent Caco-2 Permeability (nm/sec)	Apparent MDCK Permeability (nm/sec)	log Kp for skin permeability	% Human Oral Absorption in GI ( + −20%)	Qual. Model for Human Oral Absorption
01	0.141	−1.399	1	−2	−6.438	21.792	14.4	−6.632	60.632	Medium
02	0.301	−1.437	3	−2	−6.214	21.503	12.65	−6.829	62.161	Medium
03	−0.062	−1.761	2	−2	−5.725	94.397	63.709	−4.499	74.929	HIGH
04	−0.012	−1.424	1	−2	−6.246	16.134	10.399	−6.783	55.551	Medium
05	0.141	−1.447	3	−2	−5.979	16.036	9.216	−6.981	57.051	Medium
06	−0.22	−1.785	2	−2	−5.532	70.311	46.344	−4.644	70.243	high
07	0.31	−0.627	2	1	−6.073	77.715	56.875	−5.626	74	High
08	0.465	−0.649	4	1	−5.792	77.204	50.364	−5.828	75.486	High
09	0.208	−0.985	3	−1	−5.343	338.668	253.487	−3.49	88.938	High
10	0.548	−0.747	3	0	−5.954	76.556	49.386	−5.719	77.164	High
11	0.707	−0.756	4	0	−5.881	77.473	50.566	−5.813	79.28	High
12	0.197	−1.463	4	−2	−5.355	168.045	101.097	−4.158	80.447	High
Celecoxib	0.367	−0.781	1	−1	−5.772	356.195	790.105	−3.223	92.188	High
Diclofenac	0.034	−0.163	4	−1	−2.892	384.134	809.104	−1.785	100	High
Flurbiprofen	0.163	−0.342	1	−1	−3.143	339.99	298.2	−1.948	96.585	High
Indomethacin	0.062	−0.608	3	−1	−3.243	187.398	253.764	−2.565	92.548	High
Olaparib	0.104	−1.188	1	−2	−4.182	196.841	207.7	−3.287	84.563	High
Stand. Range*	(−1.5/1.5)	(−3.0/1.2)	(1.0/8.0)	−2 (inactive) + 2 active)	(concern below −5)	(<25 poor, > 500 great)	(<25 poor, > 500 great)	(–8.0 to –1.0, Kp in cm/hr)	(<25% is poor)	(>80% is high)