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: | 3ab | |
|---|---|---|
| Name: | (2E)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-3-phenylpropyl acetate | |
| Description: | ||
| Labels: | Set1 | |
| CAS: | ||
| InChi Code: | InChI=1S/C18H14Cl2O3/c1-12(21)23-11-15(18(22)13-5-3-2-4-6-13)9-14-7-8-16(19)10-17(14)20/h2-10H,11H2,1H3/b15-9+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5.1805 |
experimental value |
| 5.0747 |
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 |
|---|---|
| 4.0132 |
experimental value |
| 3.9475 |
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 |
|---|---|
| 5.0605 |
experimental value |
| 5.1670 |
Eq3: Activity against MCF-7 with Set 1 (Training set) |