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: | 5de | |
|---|---|---|
| Name: | (3R)-4-ethyl-1-(4-methoxyphenyl)-2-methylidene-1-oxohexan-3-yl benzoate | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C23H26O4/c1-5-17(6-2)22(27-23(25)19-10-8-7-9-11-19)16(3)21(24)18-12-14-20(26-4)15-13-18/h7-15,17,22H,3,5-6H2,1-2,4H3/t22-/m0/s1 |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.8861 |
experimental value |
| 4.8329 |
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 |
|---|---|
| 4.4535 |
experimental value |
| 4.5929 |
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 |
|---|---|
| 4.7471 |
experimental value |
| 4.8251 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |