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: | 5bf | |
|---|---|---|
| Name: | (1R)-1-cyclohexyl-3-(4-methoxyphenyl)-2-methylidene-3-oxopropyl acetate | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C19H24O4/c1-13(18(21)15-9-11-17(22-3)12-10-15)19(23-14(2)20)16-7-5-4-6-8-16/h9-12,16,19H,1,4-8H2,2-3H3/t19-/m0/s1 |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.9788 |
experimental value |
| 4.9628 |
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 |
experimental value |
| 4.1137 |
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 |
|---|---|
| 4.8539 |
experimental value |
| 4.7582 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |