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: | 3gb | |
|---|---|---|
| Name: | (2E)-2-[(2,4-dichlorophenyl)methylidene]-1-(4-methoxyphenyl)-4-methylpentan-1-one | |
| Description: | ||
| Labels: | Set1 | |
| CAS: | ||
| InChi Code: | InChI=1S/C20H20Cl2O2/c1-13(2)10-16(11-15-4-7-17(21)12-19(15)22)20(23)14-5-8-18(24-3)9-6-14/h4-9,11-13H,10H2,1-3H3/b16-11+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.8356 |
experimental value |
| 5.0201 |
Eq1: Activity against NB4 with Set 1 (Training set) |
A549_pIC50: pIC50 data against the A549 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.0953 |
experimental value |
| 4.1482 |
Eq2: Activity against A549 with Set 1 (Training set) |
MCF7_pIC50: pIC50 data against the MCF7 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4 |
experimental value |
| 3.9025 |
Eq3: Activity against MCF-7 with Set 1 (Training set) |