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: | 3eb | |
|---|---|---|
| Name: | (3E)-3-[(2,4-dichlorophenyl)methylidene]-4-(4-methoxyphenyl)-4-oxobutyl acetate | |
| Description: | ||
| Labels: | Set1 | |
| CAS: | ||
| InChi Code: | InChI=1S/C20H18Cl2O4/c1-13(23)26-10-9-16(11-15-3-6-17(21)12-19(15)22)20(24)14-4-7-18(25-2)8-5-14/h3-8,11-12H,9-10H2,1-2H3/b16-11+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.4584 |
experimental value |
| 4.3585 |
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 |
|---|---|
| 4.1599 |
experimental value |
| 4.0363 |
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 |
|---|---|
| 4.0788 |
experimental value |
| 4.0274 |
Eq3: Activity against MCF-7 with Set 1 (Training set) |