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: | 5bh | |
|---|---|---|
| Name: | (1R)-3-(4-methoxyphenyl)-2-methylidene-1-(4-nitrophenyl)-3-oxopropyl acetate | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C19H17NO6/c1-12(18(22)14-6-10-17(25-3)11-7-14)19(26-13(2)21)15-4-8-16(9-5-15)20(23)24/h4-11,19H,1H2,2-3H3/t19-/m0/s1 |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.9872 |
experimental value |
| 5.0825 |
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 |
|---|---|
| 4.6716 |
experimental value |
| 4.6750 |
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 |
|---|---|
| 5.2147 |
experimental value |
| 5.4131 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |