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: | 5dm | |
|---|---|---|
| Name: | (1R)-1-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-2-methylidene-3-oxopropyl benzoate | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C24H18N2O8/c1-15(22(27)16-8-11-19(33-2)12-9-16)23(34-24(28)17-6-4-3-5-7-17)20-13-10-18(25(29)30)14-21(20)26(31)32/h3-14,23H,1H2,2H3/t23-/m0/s1 |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5 |
experimental value |
| 4.9114 |
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 |
|---|---|
| 4.8861 |
experimental value |
| 4.7193 |
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 |
experimental value |
| 4.1146 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |