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: | 7ac | |
|---|---|---|
| Name: | (2E)-1-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-3-(4-nitrophenyl)prop-2-en-1-one | |
| Description: | ||
| Labels: | Set1 | |
| CAS: | ||
| InChi Code: | InChI=1S/C21H22N2O5/c1-27-20-8-4-17(5-9-20)21(24)18(15-22-10-12-28-13-11-22)14-16-2-6-19(7-3-16)23(25)26/h2-9,14H,10-13,15H2,1H3/b18-14+ |
Properties
NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]
| Value | Source or prediction |
|---|---|
| 5.2518 |
experimental value |
| 5.2408 |
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 |
|---|---|
| 4.1543 |
experimental value |
| 4.1448 |
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 |
|---|---|
| 5.1549 |
experimental value |
| 5.1335 |
Eq3: Activity against MCF-7 with Set 1 (Training set) |