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: | 5ch | |
|---|---|---|
| Name: | (1R)-3-(2,4-dimethoxyphenyl)-2-methylidene-1-(4-nitrophenyl)-3-oxopropyl acetate | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C20H19NO7/c1-12(19(23)17-10-9-16(26-3)11-18(17)27-4)20(28-13(2)22)14-5-7-15(8-6-14)21(24)25/h5-11,20H,1H2,2-4H3/t20-/m0/s1 |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5.301 |
experimental value |
| 5.2053 |
Eq4: Activity against NB4 with Set 2 (Training set) |
A549_pIC50: pIC50 data against the A549 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.3615 |
experimental value |
| 4.5391 |
Eq5: Activity against A549 with Set 2 (Training set) |
MCF7_pIC50: pIC50 data against the MCF7 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.983 |
experimental value |
| 4.8868 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |