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: | 5_db | |
|---|---|---|
| Name: | 2-[(S)-(2,4-dichlorophenyl)(hydroxy)methyl]-1-(4-methoxyphenyl)prop-2-en-1-one | |
| Description: | ||
| Labels: | Set2 | |
| CAS: | ||
| InChi Code: | InChI=1S/C17H14Cl2O3/c1-10(16(20)11-3-6-13(22-2)7-4-11)17(21)14-8-5-12(18)9-15(14)19/h3-9,17,21H,1H2,2H3/t17-/m0/s1 |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.5834 |
experimental value |
| 4.5799 |
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 |
|---|---|
| 4.1549 |
experimental value |
| 4.2691 |
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 |
|---|---|
| 5.0458 |
experimental value |
| 4.9454 |
Eq6: Activity against MCF-7 with Set 2 (Training set) |