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: | 5ba | |
|---|---|---|
| Name: | (1S)-1-(2-fluorophenyl)-3-(4-methoxyphenyl)-2-methylidene-3-oxopropyl acetate | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C19H17FO4/c1-12(18(22)14-8-10-15(23-3)11-9-14)19(24-13(2)21)16-6-4-5-7-17(16)20/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 |
|---|---|
| 5.0223 |
experimental value |
| 4.9858 |
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 |
|---|---|
| 4.172 |
experimental value |
| 4.4389 |
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 |
|---|---|
| 4.7447 |
experimental value |
| 4.7178 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |