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: | 3ba | |
|---|---|---|
| Name: | (2E)-2-[(2-fluorophenyl)methylidene]-3-(4-methoxyphenyl)-3-oxopropyl acetate | |
| Description: | ||
| Labels: | Set1 | |
| CAS: | ||
| InChi Code: | InChI=1S/C19H17FO4/c1-13(21)24-12-16(11-15-5-3-4-6-18(15)20)19(22)14-7-9-17(23-2)10-8-14/h3-11H,12H2,1-2H3/b16-11+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5.0862 |
experimental value |
| 5.0793 |
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 |
|---|---|
| 4.6478 |
experimental value |
| 4.5728 |
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 |
|---|---|
| 4.5229 |
experimental value |
| 4.6830 |
Eq3: Activity against MCF-7 with Set 1 (Training set) |