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: | 5bi | |
|---|---|---|
| Name: | (1S)-3-(4-methoxyphenyl)-2-methylidene-3-oxo-1-(pentafluorophenyl)propyl acetate | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C19H13F5O4/c1-8(18(26)10-4-6-11(27-3)7-5-10)19(28-9(2)25)12-13(20)15(22)17(24)16(23)14(12)21/h4-7,19H,1H2,2-3H3/t19-/m0/s1 |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.8996 |
experimental value |
| 4.8822 |
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 |
|---|---|
| 4.8297 |
experimental value |
| 5.0418 |
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 |
|---|---|
| 5.1739 |
experimental value |
| 5.2715 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |