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: | 5bb | |
|---|---|---|
| Name: | (1S)-1-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-methylidene-3-oxopropyl acetate | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C19H16Cl2O4/c1-11(18(23)13-4-7-15(24-3)8-5-13)19(25-12(2)22)16-9-6-14(20)10-17(16)21/h4-10,19H,1H2,2-3H3/t19-/m0/s1 |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5.2676 |
experimental value |
| 5.2628 |
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 |
|---|---|
| 4.7545 |
experimental value |
| 4.6985 |
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 |
|---|---|
| 5.0809 |
experimental value |
| 5.1519 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |