Karpavičienė, I.; Valiulienė, G.; Raškevičius, V.; Lebedytė, I.; Brukštus, A.; Kairys, V.; Navakauskienė, R.; Čikotienė, I. Synthesis and antiproliferative activity of α-branched α,β-unsaturated ketones in human hematological and solid cancer cell lines. Eur. J. Med. Chem. 2015, 98, 30–48.
Compound
| ID: | 7aa | |
|---|---|---|
| Name: | (2E)-2-[(diethylamino)methyl]-1-(4-methoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one | |
| Description: | ||
| Labels: | Set1 | |
| CAS: | ||
| InChi Code: | InChI=1S/C21H24N2O4/c1-4-22(5-2)15-18(14-16-6-10-19(11-7-16)23(25)26)21(24)17-8-12-20(27-3)13-9-17/h6-14H,4-5,15H2,1-3H3/b18-14+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5.9208 |
experimental value |
| 5.9472 |
Eq1: Activity against NB4 with Set 1 (Training set) |
A549_pIC50: pIC50 data against the A549 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.6576 |
experimental value |
| 4.6957 |
Eq2: Activity against A549 with Set 1 (Training set) |
MCF7_pIC50: pIC50 data against the MCF7 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5.3665 |
experimental value |
| 5.3123 |
Eq3: Activity against MCF-7 with Set 1 (Training set) |