TABLE 12.

Prediction of biological activity and cytotoxic effect of promising compounds via PASS online and CLC-Pred, respectively.

CLC-PRED[ a ]						PASS[ b ]
Compound	Pa	Pi	Cell-line	Cell-line full name	Tissue	Pa	Pi	Activity
Roc-A	0.198	0.139	M19-MEL	Melanoma	Skin	0.920	0.050	Antineoplastic
						0.862	0.001	Antineoplastic (squamous cell carcinoma)
						0.809	0.008	Apoptosis agonist
						0.394	0.069	Kinase inhibitor
PC-135638768	0.129	0.012	SK-MEL	Melanoma	Skin	0.693	0.015	Apoptosis agonist
						0.379	0.112	Antineoplastic
						0.297	0.148	Kinase inhibitor
PC -18582767	0.351	0.038	SK-MEL-5	Melanoma	Skin	0.289	0.159	Antineoplastic
	0.216	0.158	Malme-3M			0.223	0.191	Apoptosis agonist
	0.136	0.123	A-431
PC-16803784	0.358	0.036	SK-MEL-5	Melanoma	Skin	0.239	0.195	Antineoplastic
	0.216	0.156	Malme-3M
PC-16811025	0.338	0.042	SK-MEL-5	Melanoma	Skin	0.247	0.188	Antineoplastic
	0.208	0.172	Malme-3M			0.218	0.196	Apoptosis agonist
						0.242	0.232	Kinase inhibitor
PC-16810171	0.270	0.073	SK-MEL-5	Melanoma	Skin	0.302	0.151	Antineoplastic
	0.248	0.109	Malme-3M			0.283	0.166	Kinase inhibitor
						0.221	0.007	Antineoplastic enhancer
PC-16810169	0.413	0.025	SK-MEL-5	Melanoma	Skin	0.289	0.159	Antineoplastic
	0.220	0.150	Malme-3M			0.280	0.170	Kinase inhibitor
						0.174	0.134	Antineoplastic enhancer
PC-17581023	0.236	0.102	M19-MEL	Melanoma	Skin	0.424	0.056	Kinase inhibitor
	0.215	0.159	SK-MEL-28			0.303	0.151	Antineoplastic
	0.198	0.171	M14
PC-9115580	0.753	0.005	UACC-257	Melanoma	Skin	0.224	0.006	Protein kinase inhibitor
	0.613	0.010	SK-MEL-2
	0.601	0.008	M14
	0.569	0.011	LOX-IMVI
	0.533	0.014	SK-MEL-28
	0.524	0.014	SK-MEL-5
	0.372	0.030	UACC-62

PC, pubchem; Roc-A, Rocaglamide-A

^aCell Line Cytotoxic Predictor.

^bPrediction of Activity Spectra for Substances.