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: | 5dj | |
|---|---|---|
| Name: | (1R)-3-(4-methoxyphenyl)-2-methylidene-1-(2-nitrophenyl)-3-oxopropyl benzoate | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C24H19NO6/c1-16(22(26)17-12-14-19(30-2)15-13-17)23(20-10-6-7-11-21(20)25(28)29)31-24(27)18-8-4-3-5-9-18/h3-15,23H,1H2,2H3/t23-/m0/s1 |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.8962 |
experimental value |
| 4.8295 |
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 |
|---|---|
| 4.342 |
experimental value |
| 4.2025 |
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 |
|---|---|
| 4.9281 |
experimental value |
| 4.6287 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |