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: | 3de | |
|---|---|---|
| Name: | (2E)-2-(2-ethylbutylidene)-3-(4-methoxyphenyl)-3-oxopropyl benzoate | |
| Description: | ||
| Labels: | Set1 | |
| CAS: | ||
| InChi Code: | InChI=1S/C23H26O4/c1-4-17(5-2)15-20(16-27-23(25)19-9-7-6-8-10-19)22(24)18-11-13-21(26-3)14-12-18/h6-15,17H,4-5,16H2,1-3H3/b20-15+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.5719 |
experimental value |
| 4.6771 |
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 |
experimental value |
| 3.9671 |
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 |
|---|---|
| 4.5528 |
experimental value |
| 4.7419 |
Eq3: Activity against MCF-7 with Set 1 (Training set) |