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: | 3ei | |
|---|---|---|
| Name: | (3E)-4-(4-methoxyphenyl)-4-oxo-3-[(pentafluorophenyl)methylidene]butyl acetate | |
| Description: | ||
| Labels: | Set1 | |
| CAS: | ||
| InChi Code: | InChI=1S/C20H15F5O4/c1-10(26)29-8-7-12(20(27)11-3-5-13(28-2)6-4-11)9-14-15(21)17(23)19(25)18(24)16(14)22/h3-6,9H,7-8H2,1-2H3/b12-9+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 4.5452 |
experimental value |
| 3.9789 |
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 |
|---|---|
| 4.2358 |
experimental value |
| 4.1748 |
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 |
| 4.0218 |
Eq3: Activity against MCF-7 with Set 1 (Training set) |